1-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)triazole-4-carboxamide

C14H17N5OS — CID 79318606

IUPAC1-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)triazole-4-carboxamide
SMILESO=C(NC1CCCc2sccc21)c1cn(C2CNC2)nn1
InChIInChI=1S/C14H17N5OS/c20-14(12-8-19(18-17-12)9-6-15-7-9)16-11-2-1-3-13-10(11)4-5-21-13/h4-5,8-9,11,15H,1-3,6-7H2,(H,16,20)
InChIKeyBUCIJUUOKSHIKP-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.29
Rot. Bonds3

About 1-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)triazole-4-carboxamide

1-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)triazole-4-carboxamide (PubChem CID 79318606) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)triazole-4-carboxamide
PubChem CID79318606
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name1-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)triazole-4-carboxamide
SMILESO=C(NC1CCCc2sccc21)c1cn(C2CNC2)nn1
InChIInChI=1S/C14H17N5OS/c20-14(12-8-19(18-17-12)9-6-15-7-9)16-11-2-1-3-13-10(11)4-5-21-13/h4-5,8-9,11,15H,1-3,6-7H2,(H,16,20)
InChIKeyBUCIJUUOKSHIKP-UHFFFAOYSA-N
XLogP1.29
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azetidin-3-yl)-N-(2-oxopiperidin-3-yl)triazole-4-carboxamide
CID 79317007
1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide
CID 79316545
6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide
CID 62845505
1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide
CID 106361221
1-(azetidin-3-yl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]triazole-4-carboxamide
CID 79523298
1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide
CID 79362782
1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide
CID 79316339
N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
CID 79318572
1-(azetidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 79316777
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide
CID 64593278
4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide
CID 62840417
1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide
CID 79316779

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)triazole-4-carboxamide (CID 79318606) is 1-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)triazole-4-carboxamide is O=C(NC1CCCc2sccc21)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)triazole-4-carboxamide?
The InChIKey is BUCIJUUOKSHIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c20-14(12-8-19(18-17-12)9-6-15-7-9)16-11-2-1-3-13-10(11)4-5-21-13/h4-5,8-9,11,15H,1-3,6-7H2,(H,16,20).
What are the key properties of 1-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)triazole-4-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.29, 3 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-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)triazole-4-carboxamide is sourced from PubChem (CID 79318606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).