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

C15H17N3O4S — CID 46948435

IUPAC2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1csc([C@H]2C[C@H](O)[C@@H](CO)O2)n1
InChIInChI=1S/C15H17N3O4S/c19-7-13-11(20)4-12(22-13)15-18-10(8-23-15)14(21)17-6-9-2-1-3-16-5-9/h1-3,5,8,11-13,19-20H,4,6-7H2,(H,17,21)/t11-,12+,13+/m0/s1
InChIKeyCDPXXMVJRWGNQF-YNEHKIRRSA-N
MW335.39 g/mol
LogP0.65
Rot. Bonds5

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

2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 46948435) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID46948435
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1csc([C@H]2C[C@H](O)[C@@H](CO)O2)n1
InChIInChI=1S/C15H17N3O4S/c19-7-13-11(20)4-12(22-13)15-18-10(8-23-15)14(21)17-6-9-2-1-3-16-5-9/h1-3,5,8,11-13,19-20H,4,6-7H2,(H,17,21)/t11-,12+,13+/m0/s1
InChIKeyCDPXXMVJRWGNQF-YNEHKIRRSA-N
XLogP0.65
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 110694215
N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide
CID 117089108
2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 30860119
2-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46056119
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 53200939
N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 117080115
2-[1,3-benzodioxol-5-yl(hydroxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 71728813
2-(2-aminoethyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388111
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
2-[4-(2-methylpropoxy)phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42865899
6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 95825804
2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46056159

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 46948435) is 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1cccnc1)c1csc([C@H]2C[C@H](O)[C@@H](CO)O2)n1.
What is the InChIKey of 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is CDPXXMVJRWGNQF-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H17N3O4S/c19-7-13-11(20)4-12(22-13)15-18-10(8-23-15)14(21)17-6-9-2-1-3-16-5-9/h1-3,5,8,11-13,19-20H,4,6-7H2,(H,17,21)/t11-,12+,13+/m0/s1.
What are the key properties of 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46948435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).