2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide

C9H12N2O4S2 — CID 14078420

IUPAC2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(S[C@H]2C[C@H](O)[C@@H](CO)O2)n1
InChIInChI=1S/C9H12N2O4S2/c10-8(14)4-3-16-9(11-4)17-7-1-5(13)6(2-12)15-7/h3,5-7,12-13H,1-2H2,(H2,10,14)/t5-,6+,7-/m0/s1
InChIKeySIIJIQHKEAPKFG-XVMARJQXSA-N
MW276.34 g/mol
LogP-0.20
Rot. Bonds4

About 2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide

2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide (PubChem CID 14078420) has the molecular formula C9H12N2O4S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide
PubChem CID14078420
Molecular FormulaC9H12N2O4S2
Molecular Weight276.34 g/mol
Exact Mass276.02
IUPAC Name2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(S[C@H]2C[C@H](O)[C@@H](CO)O2)n1
InChIInChI=1S/C9H12N2O4S2/c10-8(14)4-3-16-9(11-4)17-7-1-5(13)6(2-12)15-7/h3,5-7,12-13H,1-2H2,(H2,10,14)/t5-,6+,7-/m0/s1
InChIKeySIIJIQHKEAPKFG-XVMARJQXSA-N
XLogP-0.20
TPSA105.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide
CID 14078412
2-[(2R,3R,4S,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide
CID 10334117
1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
CID 67312306
2-(hydroxymethyl)-5-methylsulfanyloxolan-3-ol
CID 123221367
2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
CID 67354949
(2R,3S,5S)-5-(ethyldisulfanyl)-2-(hydroxymethyl)oxolan-3-ol
CID 102031500
2-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-1,3-thiazole-4-carboxamide
CID 102094566
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide;1,4-dioxido-1,2,4-benzotriazine-1,4-diium-3-amine
CID 174553424
2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 66679882
2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46948435
(2R,3S,5S)-2-(hydroxymethyl)-5-(2-phenyl-1,3-thiazol-4-yl)oxolan-3-ol
CID 102355154
[[(2S,3R,4S,5S)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 90663693

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide (CID 14078420) is 2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide is NC(=O)c1csc(S[C@H]2C[C@H](O)[C@@H](CO)O2)n1.
What is the InChIKey of 2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide?
The InChIKey is SIIJIQHKEAPKFG-XVMARJQXSA-N. The full InChI is InChI=1S/C9H12N2O4S2/c10-8(14)4-3-16-9(11-4)17-7-1-5(13)6(2-12)15-7/h3,5-7,12-13H,1-2H2,(H2,10,14)/t5-,6+,7-/m0/s1.
What are the key properties of 2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide?
2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 14078420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).