5-propyl-N-(1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C14H18N4OS — CID 56751982

IUPAC5-propyl-N-(1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCCCC1CCc2sc(C(=O)Nn3cnnc3)cc2C1
InChIInChI=1S/C14H18N4OS/c1-2-3-10-4-5-12-11(6-10)7-13(20-12)14(19)17-18-8-15-16-9-18/h7-10H,2-6H2,1H3,(H,17,19)
InChIKeyGVERRRZVFLOJQI-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.63
Rot. Bonds4

About 5-propyl-N-(1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

5-propyl-N-(1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 56751982) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-propyl-N-(1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-propyl-N-(1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID56751982
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name5-propyl-N-(1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCCCC1CCc2sc(C(=O)Nn3cnnc3)cc2C1
InChIInChI=1S/C14H18N4OS/c1-2-3-10-4-5-12-11(6-10)7-13(20-12)14(19)17-18-8-15-16-9-18/h7-10H,2-6H2,1H3,(H,17,19)
InChIKeyGVERRRZVFLOJQI-UHFFFAOYSA-N
XLogP2.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-propyl-N-(1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

(5R)-5-propyl-N-(2H-tetrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 126429508
N-ethoxy-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 60700456
5-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 42906010
5-ethyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 60630751
2-(dimethylamino)-8-[(5S)-5-propyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 126439526
2-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 43387363
5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 104957341
5-ethyl-N-(2-ethyl-2-hydroxybutyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 65112473
(5R)-5-ethyl-N-ethylsulfonyl-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 52502681
5-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 115593720
N-[(4-propylcyclohexylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 16556237
N-(2,3-dihydroxy-2-methylpropyl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 66168516

Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-(1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-propyl-N-(1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 56751982) is 5-propyl-N-(1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-propyl-N-(1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-propyl-N-(1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CCCC1CCc2sc(C(=O)Nn3cnnc3)cc2C1.
What is the InChIKey of 5-propyl-N-(1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is GVERRRZVFLOJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-2-3-10-4-5-12-11(6-10)7-13(20-12)14(19)17-18-8-15-16-9-18/h7-10H,2-6H2,1H3,(H,17,19).
What are the key properties of 5-propyl-N-(1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
5-propyl-N-(1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-(1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 56751982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).