2-[(5-hydroxy-2-sulfanylphenyl)methyl]-N-pyridin-2-yl-1,3-thiazole-4-carboxamide

C16H13N3O2S2 — CID 143316334

IUPAC2-[(5-hydroxy-2-sulfanylphenyl)methyl]-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1csc(Cc2cc(O)ccc2S)n1
InChIInChI=1S/C16H13N3O2S2/c20-11-4-5-13(22)10(7-11)8-15-18-12(9-23-15)16(21)19-14-3-1-2-6-17-14/h1-7,9,20,22H,8H2,(H,17,19,21)
InChIKeyFYOUFXLUMPYYGZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.38
Rot. Bonds4

About 2-[(5-hydroxy-2-sulfanylphenyl)methyl]-N-pyridin-2-yl-1,3-thiazole-4-carboxamide

2-[(5-hydroxy-2-sulfanylphenyl)methyl]-N-pyridin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 143316334) has the molecular formula C16H13N3O2S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[(5-hydroxy-2-sulfanylphenyl)methyl]-N-pyridin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(5-hydroxy-2-sulfanylphenyl)methyl]-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID143316334
Molecular FormulaC16H13N3O2S2
Molecular Weight343.43 g/mol
Exact Mass343.04
IUPAC Name2-[(5-hydroxy-2-sulfanylphenyl)methyl]-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1csc(Cc2cc(O)ccc2S)n1
InChIInChI=1S/C16H13N3O2S2/c20-11-4-5-13(22)10(7-11)8-15-18-12(9-23-15)16(21)19-14-3-1-2-6-17-14/h1-7,9,20,22H,8H2,(H,17,19,21)
InChIKeyFYOUFXLUMPYYGZ-UHFFFAOYSA-N
XLogP3.38
TPSA75.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-2-sulfanylphenyl)methyl]-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(5-hydroxy-2-sulfanylphenyl)methyl]-N-pyridin-2-yl-1,3-thiazole-4-carboxamide (CID 143316334) is 2-[(5-hydroxy-2-sulfanylphenyl)methyl]-N-pyridin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(5-hydroxy-2-sulfanylphenyl)methyl]-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(5-hydroxy-2-sulfanylphenyl)methyl]-N-pyridin-2-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccccn1)c1csc(Cc2cc(O)ccc2S)n1.
What is the InChIKey of 2-[(5-hydroxy-2-sulfanylphenyl)methyl]-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is FYOUFXLUMPYYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S2/c20-11-4-5-13(22)10(7-11)8-15-18-12(9-23-15)16(21)19-14-3-1-2-6-17-14/h1-7,9,20,22H,8H2,(H,17,19,21).
What are the key properties of 2-[(5-hydroxy-2-sulfanylphenyl)methyl]-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
2-[(5-hydroxy-2-sulfanylphenyl)methyl]-N-pyridin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-2-sulfanylphenyl)methyl]-N-pyridin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 143316334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).