5-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide

C12H8BrN5OS — CID 6469414

IUPAC5-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(Br)s1
InChIInChI=1S/C12H8BrN5OS/c13-10-5-4-9(20-10)12(19)14-8-3-1-2-7(6-8)11-15-17-18-16-11/h1-6H,(H,14,19)(H,15,16,17,18)
InChIKeyPIWLCBDTWDASHI-UHFFFAOYSA-N
MW350.20 g/mol
LogP2.94
Rot. Bonds3

About 5-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide

5-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide (PubChem CID 6469414) has the molecular formula C12H8BrN5OS and a molecular weight of 350.20 g/mol. Its IUPAC name is 5-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide
PubChem CID6469414
Molecular FormulaC12H8BrN5OS
Molecular Weight350.20 g/mol
Exact Mass348.96
IUPAC Name5-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(Br)s1
InChIInChI=1S/C12H8BrN5OS/c13-10-5-4-9(20-10)12(19)14-8-3-1-2-7(6-8)11-15-17-18-16-11/h1-6H,(H,14,19)(H,15,16,17,18)
InChIKeyPIWLCBDTWDASHI-UHFFFAOYSA-N
XLogP2.94
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide (CID 6469414) is 5-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is PIWLCBDTWDASHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN5OS/c13-10-5-4-9(20-10)12(19)14-8-3-1-2-7(6-8)11-15-17-18-16-11/h1-6H,(H,14,19)(H,15,16,17,18).
What are the key properties of 5-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide?
5-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 350.20 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 6469414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).