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

C11H14N6OS — CID 79316777

IUPAC1-(azetidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2cn(C3CNC3)nn2)cs1
InChIInChI=1S/C11H14N6OS/c1-7-14-8(6-19-7)2-13-11(18)10-5-17(16-15-10)9-3-12-4-9/h5-6,9,12H,2-4H2,1H3,(H,13,18)
InChIKeyJBCSOFRXHZGNRF-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.12
Rot. Bonds4

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

1-(azetidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide (PubChem CID 79316777) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
PubChem CID79316777
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name1-(azetidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2cn(C3CNC3)nn2)cs1
InChIInChI=1S/C11H14N6OS/c1-7-14-8(6-19-7)2-13-11(18)10-5-17(16-15-10)9-3-12-4-9/h5-6,9,12H,2-4H2,1H3,(H,13,18)
InChIKeyJBCSOFRXHZGNRF-UHFFFAOYSA-N
XLogP0.12
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(azetidin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide
CID 106047571
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284576
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119839239
1-(azetidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxamide
CID 79316306
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819
1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide
CID 79316779
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284575
1-[1-(azetidin-3-yl)triazol-4-yl]-3-ethylpentan-1-one
CID 116590705
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-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide (CID 79316777) is 1-(azetidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide is Cc1nc(CNC(=O)c2cn(C3CNC3)nn2)cs1.
What is the InChIKey of 1-(azetidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
The InChIKey is JBCSOFRXHZGNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c1-7-14-8(6-19-7)2-13-11(18)10-5-17(16-15-10)9-3-12-4-9/h5-6,9,12H,2-4H2,1H3,(H,13,18).
What are the key properties of 1-(azetidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
1-(azetidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 0.12, 4 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-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 79316777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).