3-(2H-tetrazol-5-yl)thiophene-2,5-dicarboxamide

C7H6N6O2S — CID 11846369

IUPAC3-(2H-tetrazol-5-yl)thiophene-2,5-dicarboxamide
SMILESNC(=O)c1cc(-c2nn[nH]n2)c(C(N)=O)s1
InChIInChI=1S/C7H6N6O2S/c8-5(14)3-1-2(4(16-3)6(9)15)7-10-12-13-11-7/h1H,(H2,8,14)(H2,9,15)(H,10,11,12,13)
InChIKeyYAQPBCYKRWYGKJ-UHFFFAOYSA-N
MW238.23 g/mol
LogP-0.87
Rot. Bonds3

About 3-(2H-tetrazol-5-yl)thiophene-2,5-dicarboxamide

3-(2H-tetrazol-5-yl)thiophene-2,5-dicarboxamide (PubChem CID 11846369) has the molecular formula C7H6N6O2S and a molecular weight of 238.23 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-yl)thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name3-(2H-tetrazol-5-yl)thiophene-2,5-dicarboxamide
PubChem CID11846369
Molecular FormulaC7H6N6O2S
Molecular Weight238.23 g/mol
Exact Mass238.03
IUPAC Name3-(2H-tetrazol-5-yl)thiophene-2,5-dicarboxamide
SMILESNC(=O)c1cc(-c2nn[nH]n2)c(C(N)=O)s1
InChIInChI=1S/C7H6N6O2S/c8-5(14)3-1-2(4(16-3)6(9)15)7-10-12-13-11-7/h1H,(H2,8,14)(H2,9,15)(H,10,11,12,13)
InChIKeyYAQPBCYKRWYGKJ-UHFFFAOYSA-N
XLogP-0.87
TPSA140.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-pyridin-2-yl-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid
CID 68713025
5-(4-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid
CID 11846376
2-(2H-tetrazol-5-yl)benzoic acid
CID 555192
1-[5-(2H-tetrazol-5-yl)thiophen-2-yl]ethanone
CID 55256002
3-iodo-4-(2H-tetrazol-5-yl)benzoic acid
CID 44828524
3,5-diamino-4-(2H-tetrazol-5-yl)benzoic acid
CID 121474244
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 10407640
5-nitro-2-(2H-tetrazol-5-yl)aniline
CID 170915363
3-(2H-tetrazol-5-yl)quinolin-2-amine
CID 175802338
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide
CID 68576695
4,5-dimethyl-2-[6-(2H-tetrazol-5-yl)-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl]-1,3-thiazole
CID 173106364

Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-yl)thiophene-2,5-dicarboxamide?
The IUPAC name of 3-(2H-tetrazol-5-yl)thiophene-2,5-dicarboxamide (CID 11846369) is 3-(2H-tetrazol-5-yl)thiophene-2,5-dicarboxamide.
What is the SMILES notation for 3-(2H-tetrazol-5-yl)thiophene-2,5-dicarboxamide?
The canonical SMILES for 3-(2H-tetrazol-5-yl)thiophene-2,5-dicarboxamide is NC(=O)c1cc(-c2nn[nH]n2)c(C(N)=O)s1.
What is the InChIKey of 3-(2H-tetrazol-5-yl)thiophene-2,5-dicarboxamide?
The InChIKey is YAQPBCYKRWYGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6O2S/c8-5(14)3-1-2(4(16-3)6(9)15)7-10-12-13-11-7/h1H,(H2,8,14)(H2,9,15)(H,10,11,12,13).
What are the key properties of 3-(2H-tetrazol-5-yl)thiophene-2,5-dicarboxamide?
3-(2H-tetrazol-5-yl)thiophene-2,5-dicarboxamide has a molecular weight of 238.23 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-yl)thiophene-2,5-dicarboxamide is sourced from PubChem (CID 11846369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).