5-(4-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid

C13H10N4O3S — CID 11846376

IUPAC5-(4-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid
SMILESCOc1ccc(-c2sc(C(=O)O)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C13H10N4O3S/c1-20-8-4-2-7(3-5-8)11-9(12-14-16-17-15-12)6-10(21-11)13(18)19/h2-6H,1H3,(H,18,19)(H,14,15,16,17)
InChIKeyBUYIWVOOBPDNRY-UHFFFAOYSA-N
MW302.32 g/mol
LogP2.30
Rot. Bonds4

About 5-(4-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid

5-(4-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid (PubChem CID 11846376) has the molecular formula C13H10N4O3S and a molecular weight of 302.32 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid
PubChem CID11846376
Molecular FormulaC13H10N4O3S
Molecular Weight302.32 g/mol
Exact Mass302.05
IUPAC Name5-(4-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid
SMILESCOc1ccc(-c2sc(C(=O)O)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C13H10N4O3S/c1-20-8-4-2-7(3-5-8)11-9(12-14-16-17-15-12)6-10(21-11)13(18)19/h2-6H,1H3,(H,18,19)(H,14,15,16,17)
InChIKeyBUYIWVOOBPDNRY-UHFFFAOYSA-N
XLogP2.30
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
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
1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]ethanone
CID 23372664
5-(2,4-dimethoxyphenyl)-2H-tetrazole
CID 82077250
3-(2H-tetrazol-5-yl)thiophene-2,5-dicarboxamide
CID 11846369
4-[4-[(4-methoxyphenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
CID 11853644
5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 23372838
methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate
CID 59205718
4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
CID 11619480
N-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 158054063
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)phenyl]urea
CID 11168394
3-iodo-4-(2H-tetrazol-5-yl)benzoic acid
CID 44828524
N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide
CID 171357428

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid (CID 11846376) is 5-(4-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid is COc1ccc(-c2sc(C(=O)O)cc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid?
The InChIKey is BUYIWVOOBPDNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3S/c1-20-8-4-2-7(3-5-8)11-9(12-14-16-17-15-12)6-10(21-11)13(18)19/h2-6H,1H3,(H,18,19)(H,14,15,16,17).
What are the key properties of 5-(4-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid?
5-(4-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid has a molecular weight of 302.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 11846376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).