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

C9H11N5OS — CID 50981357

IUPAC2-methyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCn2ccnn2)cs1
InChIInChI=1S/C9H11N5OS/c1-7-12-8(6-16-7)9(15)10-2-4-14-5-3-11-13-14/h3,5-6H,2,4H2,1H3,(H,10,15)
InChIKeyVDASQZRQJDASDX-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.47
Rot. Bonds4

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

2-methyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 50981357) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-methyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID50981357
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name2-methyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCn2ccnn2)cs1
InChIInChI=1S/C9H11N5OS/c1-7-12-8(6-16-7)9(15)10-2-4-14-5-3-11-13-14/h3,5-6H,2,4H2,1H3,(H,10,15)
InChIKeyVDASQZRQJDASDX-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 86968215
4-amino-5-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-2-carboxamide
CID 113412359
N-(2-bromoethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198942
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47447578
5-bromo-2-propan-2-yl-N-[2-(triazol-1-yl)ethyl]pyrimidine-4-carboxamide
CID 138053914
6-oxo-N-[2-(triazol-1-yl)ethyl]-1H-pyridazine-3-carboxamide
CID 113375229
N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136879253
N-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 110647682
5-hydrazinyl-N-[2-(triazol-1-yl)ethyl]pyridine-2-carboxamide
CID 104643051
3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide
CID 113412348
5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199563
N-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 107322343

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 50981357) is 2-methyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCCn2ccnn2)cs1.
What is the InChIKey of 2-methyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VDASQZRQJDASDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-7-12-8(6-16-7)9(15)10-2-4-14-5-3-11-13-14/h3,5-6H,2,4H2,1H3,(H,10,15).
What are the key properties of 2-methyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 237.29 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50981357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).