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

C9H11N5OS — CID 146124157

IUPAC2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NCc2nncn2C)s1
InChIInChI=1S/C9H11N5OS/c1-6-10-3-7(16-6)9(15)11-4-8-13-12-5-14(8)2/h3,5H,4H2,1-2H3,(H,11,15)
InChIKeyMLIGZQAFCPJZNG-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.51
Rot. Bonds3

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

2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 146124157) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID146124157
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NCc2nncn2C)s1
InChIInChI=1S/C9H11N5OS/c1-6-10-3-7(16-6)9(15)11-4-8-13-12-5-14(8)2/h3,5H,4H2,1-2H3,(H,11,15)
InChIKeyMLIGZQAFCPJZNG-UHFFFAOYSA-N
XLogP0.51
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107027924
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 55218411
5-amino-2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 61138847
6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 60754840
6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103717543
4-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 47158502
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-oxobutanamide
CID 61004110
2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 103893192
3-amino-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 54904691
6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81238764
4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62076450
4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 62179357

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-carboxamide (CID 146124157) is 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NCc2nncn2C)s1.
What is the InChIKey of 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is MLIGZQAFCPJZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-6-10-3-7(16-6)9(15)11-4-8-13-12-5-14(8)2/h3,5H,4H2,1-2H3,(H,11,15).
What are the key properties of 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-carboxamide?
2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 237.29 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146124157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).