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

C9H12N2O5S2 — CID 14078412

IUPAC2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C9H12N2O5S2/c10-7(15)3-2-17-9(11-3)18-8-6(14)5(13)4(1-12)16-8/h2,4-6,8,12-14H,1H2,(H2,10,15)/t4-,5-,6-,8+/m1/s1
InChIKeyIEAOCSNRMQRWCU-UNGCPHIMSA-N
MW292.34 g/mol
LogP-1.23
Rot. Bonds4

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

2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide (PubChem CID 14078412) has the molecular formula C9H12N2O5S2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide
PubChem CID14078412
Molecular FormulaC9H12N2O5S2
Molecular Weight292.34 g/mol
Exact Mass292.02
IUPAC Name2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C9H12N2O5S2/c10-7(15)3-2-17-9(11-3)18-8-6(14)5(13)4(1-12)16-8/h2,4-6,8,12-14H,1H2,(H2,10,15)/t4-,5-,6-,8+/m1/s1
InChIKeyIEAOCSNRMQRWCU-UNGCPHIMSA-N
XLogP-1.23
TPSA125.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide
CID 14078420
2-[(2R,3R,4S,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide
CID 10334117
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
2,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl]cyclohexa-2,5-diene-1,4-dione
CID 10323550
5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide
CID 154664836
5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide
CID 154664844
(2R,3R,4R)-2-(hydroxymethyl)-5-phenylsulfanyloxolane-3,4-diol
CID 54042822
4-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide
CID 91120633
(2S,3R,4S,5R,6R)-2-(4-aminophenyl)sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7408088
(2S,4R,5R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 6917264
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
CID 22879779
(3S,6S)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
CID 70671710

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide (CID 14078412) is 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide is NC(=O)c1csc(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1.
What is the InChIKey of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide?
The InChIKey is IEAOCSNRMQRWCU-UNGCPHIMSA-N. The full InChI is InChI=1S/C9H12N2O5S2/c10-7(15)3-2-17-9(11-3)18-8-6(14)5(13)4(1-12)16-8/h2,4-6,8,12-14H,1H2,(H2,10,15)/t4-,5-,6-,8+/m1/s1.
What are the key properties of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide?
2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of -1.23, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 14078412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).