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

C14H13N5OS — CID 6466607

IUPAC5-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)s1
InChIInChI=1S/C14H13N5OS/c1-2-11-6-7-12(21-11)14(20)15-10-5-3-4-9(8-10)13-16-18-19-17-13/h3-8H,2H2,1H3,(H,15,20)(H,16,17,18,19)
InChIKeyBYEAHTVDWWLKIM-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.74
Rot. Bonds4

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

5-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide (PubChem CID 6466607) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 5-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide
PubChem CID6466607
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name5-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)s1
InChIInChI=1S/C14H13N5OS/c1-2-11-6-7-12(21-11)14(20)15-10-5-3-4-9(8-10)13-16-18-19-17-13/h3-8H,2H2,1H3,(H,15,20)(H,16,17,18,19)
InChIKeyBYEAHTVDWWLKIM-UHFFFAOYSA-N
XLogP2.74
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide (CID 6466607) is 5-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide is CCc1ccc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)s1.
What is the InChIKey of 5-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is BYEAHTVDWWLKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-2-11-6-7-12(21-11)14(20)15-10-5-3-4-9(8-10)13-16-18-19-17-13/h3-8H,2H2,1H3,(H,15,20)(H,16,17,18,19).
What are the key properties of 5-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide?
5-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 6466607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).