3,4-dichloro-N-(tetrazolidin-5-yl)-1-benzothiophene-2-carboxamide

C10H9Cl2N5OS — CID 85498486

IUPAC3,4-dichloro-N-(tetrazolidin-5-yl)-1-benzothiophene-2-carboxamide
SMILESO=C(NC1NNNN1)c1sc2cccc(Cl)c2c1Cl
InChIInChI=1S/C10H9Cl2N5OS/c11-4-2-1-3-5-6(4)7(12)8(19-5)9(18)13-10-14-16-17-15-10/h1-3,10,14-17H,(H,13,18)
InChIKeyBJZIARYSDLPKMO-UHFFFAOYSA-N
MW318.19 g/mol
LogP1.34
Rot. Bonds2

About 3,4-dichloro-N-(tetrazolidin-5-yl)-1-benzothiophene-2-carboxamide

3,4-dichloro-N-(tetrazolidin-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 85498486) has the molecular formula C10H9Cl2N5OS and a molecular weight of 318.19 g/mol. Its IUPAC name is 3,4-dichloro-N-(tetrazolidin-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-(tetrazolidin-5-yl)-1-benzothiophene-2-carboxamide
PubChem CID85498486
Molecular FormulaC10H9Cl2N5OS
Molecular Weight318.19 g/mol
Exact Mass316.99
IUPAC Name3,4-dichloro-N-(tetrazolidin-5-yl)-1-benzothiophene-2-carboxamide
SMILESO=C(NC1NNNN1)c1sc2cccc(Cl)c2c1Cl
InChIInChI=1S/C10H9Cl2N5OS/c11-4-2-1-3-5-6(4)7(12)8(19-5)9(18)13-10-14-16-17-15-10/h1-3,10,14-17H,(H,13,18)
InChIKeyBJZIARYSDLPKMO-UHFFFAOYSA-N
XLogP1.34
TPSA77.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 51.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dichloro-N-[2-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 35684859
N-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide
CID 994741
3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide
CID 1124680
3,4-dichloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide
CID 5074180
3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 896662
3,4-dichloro-N-[3-(dimethylamino)propyl]-1-benzothiophene-2-carboxamide
CID 39854884
3,4-dichloro-N-(2,4-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 987829
3,4-dichloro-N-(1-phenylpropyl)-1-benzothiophene-2-carboxamide
CID 2931377
3,4-dichloro-N-(3-ethylphenyl)-1-benzothiophene-2-carboxamide
CID 997805
3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 2933416
3,4-dichloro-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide
CID 35561731
3,4-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 4676424

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(tetrazolidin-5-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,4-dichloro-N-(tetrazolidin-5-yl)-1-benzothiophene-2-carboxamide (CID 85498486) is 3,4-dichloro-N-(tetrazolidin-5-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-(tetrazolidin-5-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,4-dichloro-N-(tetrazolidin-5-yl)-1-benzothiophene-2-carboxamide is O=C(NC1NNNN1)c1sc2cccc(Cl)c2c1Cl.
What is the InChIKey of 3,4-dichloro-N-(tetrazolidin-5-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is BJZIARYSDLPKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5OS/c11-4-2-1-3-5-6(4)7(12)8(19-5)9(18)13-10-14-16-17-15-10/h1-3,10,14-17H,(H,13,18).
What are the key properties of 3,4-dichloro-N-(tetrazolidin-5-yl)-1-benzothiophene-2-carboxamide?
3,4-dichloro-N-(tetrazolidin-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 318.19 g/mol, XLogP of 1.34, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(tetrazolidin-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 85498486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).