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

C12H10N6OS — CID 91652858

IUPAC4-methyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(-n2cncn2)cn1
InChIInChI=1S/C12H10N6OS/c1-8-11(20-7-15-8)12(19)17-10-3-2-9(4-14-10)18-6-13-5-16-18/h2-7H,1H3,(H,14,17,19)
InChIKeyQYLGWBSHLPBTNP-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.68
Rot. Bonds3

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

4-methyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 91652858) has the molecular formula C12H10N6OS and a molecular weight of 286.32 g/mol. Its IUPAC name is 4-methyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID91652858
Molecular FormulaC12H10N6OS
Molecular Weight286.32 g/mol
Exact Mass286.06
IUPAC Name4-methyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(-n2cncn2)cn1
InChIInChI=1S/C12H10N6OS/c1-8-11(20-7-15-8)12(19)17-10-3-2-9(4-14-10)18-6-13-5-16-18/h2-7H,1H3,(H,14,17,19)
InChIKeyQYLGWBSHLPBTNP-UHFFFAOYSA-N
XLogP1.68
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (CID 91652858) is 4-methyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(-n2cncn2)cn1.
What is the InChIKey of 4-methyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QYLGWBSHLPBTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6OS/c1-8-11(20-7-15-8)12(19)17-10-3-2-9(4-14-10)18-6-13-5-16-18/h2-7H,1H3,(H,14,17,19).
What are the key properties of 4-methyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91652858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).