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

Technical Data

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:	137Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4