N-[[4-(Phenylmethoxy)phenyl]methyl]-2-[(3-thienylcarbonyl)amino]-4-thiazoleacetamide - CAS 1209650-80-5
Catalog: |
BB076533 |
Product Name: |
N-[[4-(Phenylmethoxy)phenyl]methyl]-2-[(3-thienylcarbonyl)amino]-4-thiazoleacetamide |
CAS: |
1209650-80-5 |
Synonyms: |
N-[[4-(Phenylmethoxy)phenyl]methyl]-2-[(3-thienylcarbonyl)amino]-4-thiazoleacetamide; N-(4-(2-((4-(benzyloxy)benzyl)amino)-2-oxoethyl)thiazol-2-yl)thiophene-3-carboxamide; N-[4-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide |
IUPAC Name: | N-[4-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide |
Description: | N-[[4-(Phenylmethoxy)phenyl]methyl]-2-[(3-thienylcarbonyl)amino]-4-thiazoleacetamide is derived from ethyl 2-amino-4-thiaxolacetate (E899330) which is used in the synthesis of various pharmaceutical and biologically active compounds including inhibitors and antibiotics. |
Molecular Weight: | 463.57 |
Molecular Formula: | C24H21N3O3S2 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC=C(C=C2)CNC(=O)CC3=CSC(=N3)NC(=O)C4=CSC=C4 |
InChI: | InChI=1S/C24H21N3O3S2/c28-22(12-20-16-32-24(26-20)27-23(29)19-10-11-31-15-19)25-13-17-6-8-21(9-7-17)30-14-18-4-2-1-3-5-18/h1-11,15-16H,12-14H2,(H,25,28)(H,26,27,29) |
InChI Key: | OESAAJIAZQAPTM-UHFFFAOYSA-N |
References: | Inamoto, Y., et al. J. Antibiot., 41, 828 (1988). |
Complexity: | 609 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 463.10243389 |
Formal Charge: | 0 |
Heavy Atom Count: | 32 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 463.10243389 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 137Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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