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

C12H16N6OS — CID 106047571

IUPAC1-(azetidin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide
SMILESCc1nc(CCNC(=O)c2cn(C3CNC3)nn2)cs1
InChIInChI=1S/C12H16N6OS/c1-8-15-9(7-20-8)2-3-14-12(19)11-6-18(17-16-11)10-4-13-5-10/h6-7,10,13H,2-5H2,1H3,(H,14,19)
InChIKeyZDKMFVNKGDFCTE-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.16
Rot. Bonds5

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

1-(azetidin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide (PubChem CID 106047571) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide
PubChem CID106047571
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC Name1-(azetidin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide
SMILESCc1nc(CCNC(=O)c2cn(C3CNC3)nn2)cs1
InChIInChI=1S/C12H16N6OS/c1-8-15-9(7-20-8)2-3-14-12(19)11-6-18(17-16-11)10-4-13-5-10/h6-7,10,13H,2-5H2,1H3,(H,14,19)
InChIKeyZDKMFVNKGDFCTE-UHFFFAOYSA-N
XLogP0.16
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(azetidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 79316777
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284576
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836254
1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide
CID 79320078
5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 34140596
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 103790264
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119841463
1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide
CID 79362782

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide (CID 106047571) is 1-(azetidin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide is Cc1nc(CCNC(=O)c2cn(C3CNC3)nn2)cs1.
What is the InChIKey of 1-(azetidin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide?
The InChIKey is ZDKMFVNKGDFCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS/c1-8-15-9(7-20-8)2-3-14-12(19)11-6-18(17-16-11)10-4-13-5-10/h6-7,10,13H,2-5H2,1H3,(H,14,19).
What are the key properties of 1-(azetidin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide?
1-(azetidin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide has a molecular weight of 292.37 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 106047571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).