3-chloro-N-(1-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide

C11H8ClN5OS — CID 925650

IUPAC3-chloro-N-(1-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCn1nnnc1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C11H8ClN5OS/c1-17-11(14-15-16-17)13-10(18)9-8(12)6-4-2-3-5-7(6)19-9/h2-5H,1H3,(H,13,14,16,18)
InChIKeyFZLAUHDJHGRVAV-UHFFFAOYSA-N
MW293.74 g/mol
LogP2.33
Rot. Bonds2

About 3-chloro-N-(1-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide

3-chloro-N-(1-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 925650) has the molecular formula C11H8ClN5OS and a molecular weight of 293.74 g/mol. Its IUPAC name is 3-chloro-N-(1-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide
PubChem CID925650
Molecular FormulaC11H8ClN5OS
Molecular Weight293.74 g/mol
Exact Mass293.01
IUPAC Name3-chloro-N-(1-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCn1nnnc1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C11H8ClN5OS/c1-17-11(14-15-16-17)13-10(18)9-8(12)6-4-2-3-5-7(6)19-9/h2-5H,1H3,(H,13,14,16,18)
InChIKeyFZLAUHDJHGRVAV-UHFFFAOYSA-N
XLogP2.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 2851499
3-chloro-N-(2-propan-2-ylpyrazol-3-yl)-1-benzothiophene-2-carboxamide
CID 30183448
3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 55608971
N-(benzimidazolo[1,2-c]quinazolin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide
CID 3290880
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 3128607
3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033
3-chloro-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide
CID 4203723
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide
CID 1322308
N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 606808
N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 681064

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(1-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide (CID 925650) is 3-chloro-N-(1-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(1-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(1-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide is Cn1nnnc1NC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(1-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is FZLAUHDJHGRVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5OS/c1-17-11(14-15-16-17)13-10(18)9-8(12)6-4-2-3-5-7(6)19-9/h2-5H,1H3,(H,13,14,16,18).
What are the key properties of 3-chloro-N-(1-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(1-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 293.74 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 925650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).