1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide

C9H11N5OS — CID 110461892

IUPAC1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2nccs2)nn1
InChIInChI=1S/C9H11N5OS/c1-14-6-7(12-13-14)9(15)11-3-2-8-10-4-5-16-8/h4-6H,2-3H2,1H3,(H,11,15)
InChIKeyCAXOTCXSDBOUDM-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.24
Rot. Bonds4

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

1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide (PubChem CID 110461892) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide
PubChem CID110461892
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2nccs2)nn1
InChIInChI=1S/C9H11N5OS/c1-14-6-7(12-13-14)9(15)11-3-2-8-10-4-5-16-8/h4-6H,2-3H2,1H3,(H,11,15)
InChIKeyCAXOTCXSDBOUDM-UHFFFAOYSA-N
XLogP0.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
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N-(2-acetamidoethyl)-1-methyltriazole-4-carboxamide
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methyl 4-[(1-methyltriazole-4-carbonyl)amino]butanoate
CID 110461887
1-[2-oxo-2-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid
CID 66291007
N-[2-(3-hydroxyphenyl)ethyl]-1-methyltriazole-4-carboxamide
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6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridazine-3-carboxamide
CID 49411682
4-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62186873
1-methyl-N-[2-(2-methylsulfanylphenyl)ethyl]triazole-4-carboxamide
CID 110482116
3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 110474816
1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]indole-4-carboxamide
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4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide
CID 63238946
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide (CID 110461892) is 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide is Cn1cc(C(=O)NCCc2nccs2)nn1.
What is the InChIKey of 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide?
The InChIKey is CAXOTCXSDBOUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-14-6-7(12-13-14)9(15)11-3-2-8-10-4-5-16-8/h4-6H,2-3H2,1H3,(H,11,15).
What are the key properties of 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide?
1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide has a molecular weight of 237.29 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 110461892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).