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

C12H10N6OS — CID 25106890

IUPACN-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NCc1nc(-c2ccncc2)n[nH]1)c1nccs1
InChIInChI=1S/C12H10N6OS/c19-11(12-14-5-6-20-12)15-7-9-16-10(18-17-9)8-1-3-13-4-2-8/h1-6H,7H2,(H,15,19)(H,16,17,18)
InChIKeyRSSGLDCCTIIURG-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.25
Rot. Bonds4

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

N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide (PubChem CID 25106890) has the molecular formula C12H10N6OS and a molecular weight of 286.32 g/mol. Its IUPAC name is N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide
PubChem CID25106890
Molecular FormulaC12H10N6OS
Molecular Weight286.32 g/mol
Exact Mass286.06
IUPAC NameN-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NCc1nc(-c2ccncc2)n[nH]1)c1nccs1
InChIInChI=1S/C12H10N6OS/c19-11(12-14-5-6-20-12)15-7-9-16-10(18-17-9)8-1-3-13-4-2-8/h1-6H,7H2,(H,15,19)(H,16,17,18)
InChIKeyRSSGLDCCTIIURG-UHFFFAOYSA-N
XLogP1.25
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide with MolForge

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Related Compounds

4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 82569633
N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 154877353
5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide
CID 46958783
5-(5-methylthiophen-2-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1H-pyrazole-3-carboxamide
CID 70788775
tert-butyl N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate
CID 71124077
3-phenoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 117074450
5,6-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1H-pyridine-3-carboxamide
CID 70744904
2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 11264149
2-hydroxy-4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 25106894
N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 69317898
3-(furan-2-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 91773049
1-(2-methylbutyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]urea
CID 155951877

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide (CID 25106890) is N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide is O=C(NCc1nc(-c2ccncc2)n[nH]1)c1nccs1.
What is the InChIKey of N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide?
The InChIKey is RSSGLDCCTIIURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6OS/c19-11(12-14-5-6-20-12)15-7-9-16-10(18-17-9)8-1-3-13-4-2-8/h1-6H,7H2,(H,15,19)(H,16,17,18).
What are the key properties of N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide?
N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 25106890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).