1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide

C12H15N5OS — CID 79316779

IUPAC1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCc1ccsc1)c1cn(C2CNC2)nn1
InChIInChI=1S/C12H15N5OS/c18-12(14-3-1-9-2-4-19-8-9)11-7-17(16-15-11)10-5-13-6-10/h2,4,7-8,10,13H,1,3,5-6H2,(H,14,18)
InChIKeyKGOOSCPCSKAYBT-UHFFFAOYSA-N
MW277.35 g/mol
LogP0.46
Rot. Bonds5

About 1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide

1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide (PubChem CID 79316779) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide
PubChem CID79316779
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCc1ccsc1)c1cn(C2CNC2)nn1
InChIInChI=1S/C12H15N5OS/c18-12(14-3-1-9-2-4-19-8-9)11-7-17(16-15-11)10-5-13-6-10/h2,4,7-8,10,13H,1,3,5-6H2,(H,14,18)
InChIKeyKGOOSCPCSKAYBT-UHFFFAOYSA-N
XLogP0.46
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(azetidin-3-yl)triazol-4-yl]-2-thiophen-3-ylethanone
CID 116590713
1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide
CID 79320078
1-(azetidin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide
CID 106047571
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 63283028
1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide
CID 79316339
1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
CID 106415982
4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836254
1-(azetidin-3-yl)-N-(2-phenoxyethyl)triazole-4-carboxamide
CID 79319023
1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide
CID 129489835
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide
CID 79318894

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide (CID 79316779) is 1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide is O=C(NCCc1ccsc1)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide?
The InChIKey is KGOOSCPCSKAYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c18-12(14-3-1-9-2-4-19-8-9)11-7-17(16-15-11)10-5-13-6-10/h2,4,7-8,10,13H,1,3,5-6H2,(H,14,18).
What are the key properties of 1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 79316779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).