N-(1-ethyltetrazol-5-yl)-7-methyl-1-benzothiophene-6-carboxamide

C13H13N5OS — CID 161497262

IUPACN-(1-ethyltetrazol-5-yl)-7-methyl-1-benzothiophene-6-carboxamide
SMILESCCn1nnnc1NC(=O)c1ccc2ccsc2c1C
InChIInChI=1S/C13H13N5OS/c1-3-18-13(15-16-17-18)14-12(19)10-5-4-9-6-7-20-11(9)8(10)2/h4-7H,3H2,1-2H3,(H,14,15,17,19)
InChIKeyIFDGNDZWSLYRIN-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.47
Rot. Bonds3

About N-(1-ethyltetrazol-5-yl)-7-methyl-1-benzothiophene-6-carboxamide

N-(1-ethyltetrazol-5-yl)-7-methyl-1-benzothiophene-6-carboxamide (PubChem CID 161497262) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is N-(1-ethyltetrazol-5-yl)-7-methyl-1-benzothiophene-6-carboxamide.

Molecular Properties

Compound NameN-(1-ethyltetrazol-5-yl)-7-methyl-1-benzothiophene-6-carboxamide
PubChem CID161497262
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC NameN-(1-ethyltetrazol-5-yl)-7-methyl-1-benzothiophene-6-carboxamide
SMILESCCn1nnnc1NC(=O)c1ccc2ccsc2c1C
InChIInChI=1S/C13H13N5OS/c1-3-18-13(15-16-17-18)14-12(19)10-5-4-9-6-7-20-11(9)8(10)2/h4-7H,3H2,1-2H3,(H,14,15,17,19)
InChIKeyIFDGNDZWSLYRIN-UHFFFAOYSA-N
XLogP2.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethyltetrazol-5-yl)-2,4-dimethyl-3-[(S)-methylsulfinyl]benzamide
CID 125464621
3,5-dichloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide
CID 957992
3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 164529259
N-(1-ethyltetrazol-5-yl)-3,5-dimethoxybenzamide
CID 957991
N-(1-ethyltetrazol-5-yl)-3-methyl-4-nitrobenzamide
CID 925636
N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide
CID 925659
2-chloro-N-(1-ethyltetrazol-5-yl)-3-(2-methylpropanoylamino)-4-(trifluoromethoxy)benzamide
CID 168841014
2-chloro-4-(difluoromethoxy)-N-(1-ethyltetrazol-5-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 170938721
5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide
CID 892036
2-chloro-5-nitro-N-(1-propyltetrazol-5-yl)benzamide
CID 960311
5-(2-chloro-4-methylphenyl)-N-(1-ethyltetrazol-5-yl)-1,4-dimethyl-6-oxopyridazine-3-carboxamide
CID 123738350
2-bromo-5-nitro-N-(1-propyltetrazol-5-yl)benzamide
CID 4500460

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyltetrazol-5-yl)-7-methyl-1-benzothiophene-6-carboxamide?
The IUPAC name of N-(1-ethyltetrazol-5-yl)-7-methyl-1-benzothiophene-6-carboxamide (CID 161497262) is N-(1-ethyltetrazol-5-yl)-7-methyl-1-benzothiophene-6-carboxamide.
What is the SMILES notation for N-(1-ethyltetrazol-5-yl)-7-methyl-1-benzothiophene-6-carboxamide?
The canonical SMILES for N-(1-ethyltetrazol-5-yl)-7-methyl-1-benzothiophene-6-carboxamide is CCn1nnnc1NC(=O)c1ccc2ccsc2c1C.
What is the InChIKey of N-(1-ethyltetrazol-5-yl)-7-methyl-1-benzothiophene-6-carboxamide?
The InChIKey is IFDGNDZWSLYRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-3-18-13(15-16-17-18)14-12(19)10-5-4-9-6-7-20-11(9)8(10)2/h4-7H,3H2,1-2H3,(H,14,15,17,19).
What are the key properties of N-(1-ethyltetrazol-5-yl)-7-methyl-1-benzothiophene-6-carboxamide?
N-(1-ethyltetrazol-5-yl)-7-methyl-1-benzothiophene-6-carboxamide has a molecular weight of 287.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyltetrazol-5-yl)-7-methyl-1-benzothiophene-6-carboxamide is sourced from PubChem (CID 161497262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).