2-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-1,3-thiazole-4-carboxamide

C8H10N2O4S — CID 102094566

IUPAC2-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc([C@@H]2OC[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C8H10N2O4S/c9-7(13)3-2-15-8(10-3)6-5(12)4(11)1-14-6/h2,4-6,11-12H,1H2,(H2,9,13)/t4-,5-,6-/m1/s1
InChIKeyRZHFHABSJKCPCA-HSUXUTPPSA-N
MW230.24 g/mol
LogP-0.96
Rot. Bonds2

About 2-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-1,3-thiazole-4-carboxamide

2-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 102094566) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID102094566
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Name2-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc([C@@H]2OC[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C8H10N2O4S/c9-7(13)3-2-15-8(10-3)6-5(12)4(11)1-14-6/h2,4-6,11-12H,1H2,(H2,9,13)/t4-,5-,6-/m1/s1
InChIKeyRZHFHABSJKCPCA-HSUXUTPPSA-N
XLogP-0.96
TPSA105.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-1,3-thiazole-4-carboxamide (CID 102094566) is 2-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-1,3-thiazole-4-carboxamide is NC(=O)c1csc([C@@H]2OC[C@@H](O)[C@H]2O)n1.
What is the InChIKey of 2-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is RZHFHABSJKCPCA-HSUXUTPPSA-N. The full InChI is InChI=1S/C8H10N2O4S/c9-7(13)3-2-15-8(10-3)6-5(12)4(11)1-14-6/h2,4-6,11-12H,1H2,(H2,9,13)/t4-,5-,6-/m1/s1.
What are the key properties of 2-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-1,3-thiazole-4-carboxamide?
2-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 230.24 g/mol, XLogP of -0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 102094566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).