N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide

C16H13N3OS — CID 17164666

IUPACN-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1csc(-c2ccccc2)n1)c1cccnc1
InChIInChI=1S/C16H13N3OS/c20-15(13-7-4-8-17-9-13)18-10-14-11-21-16(19-14)12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,20)
InChIKeyIJLSFFBXIJBCBG-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.14
Rot. Bonds4

About N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide

N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 17164666) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID17164666
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC NameN-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1csc(-c2ccccc2)n1)c1cccnc1
InChIInChI=1S/C16H13N3OS/c20-15(13-7-4-8-17-9-13)18-10-14-11-21-16(19-14)12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,20)
InChIKeyIJLSFFBXIJBCBG-UHFFFAOYSA-N
XLogP3.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 17164693
5-bromo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 24632147
N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47290675
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 35534129
5-oxo-5-phenyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108749073
N-benzylpyridine-3-carboxamide chloride
CID 21204170
4-methyl-3,5-dinitro-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108749012
3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 34072489
2-(4-bromophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749094
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438
3-nitro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 17163934
4-chloro-N-[2-oxo-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide
CID 108770883

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (CID 17164666) is N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is O=C(NCc1csc(-c2ccccc2)n1)c1cccnc1.
What is the InChIKey of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is IJLSFFBXIJBCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-15(13-7-4-8-17-9-13)18-10-14-11-21-16(19-14)12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,20).
What are the key properties of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 295.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 17164666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).