2-Oxo-N-2-propyn-1-yl-4-thiazolidinecarboxamide - CAS 1250186-20-9

Catalog:	BB058448
Product Name:	2-Oxo-N-2-propyn-1-yl-4-thiazolidinecarboxamide
CAS:	1250186-20-9
Synonyms:	SHIP-2a; (R)-2-Oxo-N-2-propyn-1-yl-4-thiazolidinecarboxamide; Cystathionine-\|A-lyase-IN-1; 1250186-20-9 (racemic); (4R)-2-oxo-N-prop-2-ynyl-1,3-thiazolidine-4-carboxamide; (R)-2-Oxo-N-(prop-2-yn-1-yl)thiazolidine-4-carboxamide

Technical Data

IUPAC Name:	(4R)-2-oxo-N-prop-2-ynyl-1,3-thiazolidine-4-carboxamide
Description:	2-Oxo-N-2-propyn-1-yl-4-thiazolidinecarboxamide is used in the synthesis of small-sized HIV protease inhibitors.
Molecular Weight:	184.22
Molecular Formula:	C7H8N2O2S
Canonical SMILES:	C#CCNC(=O)C1CSC(=O)N1
InChI:	InChI=1S/C7H8N2O2S/c1-2-3-8-6(10)5-4-12-7(11)9-5/h1,5H,3-4H2,(H,8,10)(H,9,11)/t5-/m0/s1
InChI Key:	MWEQVHWJNCRXGP-YFKPBYRVSA-N
References:	Tsutomu M., et al. J. Med. Chem., 42, 1789 (1999).

Complexity:	255
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	184.03064868
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	184.03064868
Rotatable Bond Count:	2
Topological Polar Surface Area:	83.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2