(1-phenyltetrazol-5-yl)methyl 5-(4-fluorophenyl)thiophene-2-carboxylate

C19H13FN4O2S — CID 18199547

IUPAC(1-phenyltetrazol-5-yl)methyl 5-(4-fluorophenyl)thiophene-2-carboxylate
SMILESO=C(OCc1nnnn1-c1ccccc1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H13FN4O2S/c20-14-8-6-13(7-9-14)16-10-11-17(27-16)19(25)26-12-18-21-22-23-24(18)15-4-2-1-3-5-15/h1-11H,12H2
InChIKeyOWYFNZCGVSWJAM-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.89
Rot. Bonds5

About (1-phenyltetrazol-5-yl)methyl 5-(4-fluorophenyl)thiophene-2-carboxylate

(1-phenyltetrazol-5-yl)methyl 5-(4-fluorophenyl)thiophene-2-carboxylate (PubChem CID 18199547) has the molecular formula C19H13FN4O2S and a molecular weight of 380.40 g/mol. Its IUPAC name is (1-phenyltetrazol-5-yl)methyl 5-(4-fluorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name(1-phenyltetrazol-5-yl)methyl 5-(4-fluorophenyl)thiophene-2-carboxylate
PubChem CID18199547
Molecular FormulaC19H13FN4O2S
Molecular Weight380.40 g/mol
Exact Mass380.07
IUPAC Name(1-phenyltetrazol-5-yl)methyl 5-(4-fluorophenyl)thiophene-2-carboxylate
SMILESO=C(OCc1nnnn1-c1ccccc1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H13FN4O2S/c20-14-8-6-13(7-9-14)16-10-11-17(27-16)19(25)26-12-18-21-22-23-24(18)15-4-2-1-3-5-15/h1-11H,12H2
InChIKeyOWYFNZCGVSWJAM-UHFFFAOYSA-N
XLogP3.89
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-phenyltetrazol-5-yl)methyl 5-(4-fluorophenyl)thiophene-2-carboxylate?
The IUPAC name of (1-phenyltetrazol-5-yl)methyl 5-(4-fluorophenyl)thiophene-2-carboxylate (CID 18199547) is (1-phenyltetrazol-5-yl)methyl 5-(4-fluorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for (1-phenyltetrazol-5-yl)methyl 5-(4-fluorophenyl)thiophene-2-carboxylate?
The canonical SMILES for (1-phenyltetrazol-5-yl)methyl 5-(4-fluorophenyl)thiophene-2-carboxylate is O=C(OCc1nnnn1-c1ccccc1)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of (1-phenyltetrazol-5-yl)methyl 5-(4-fluorophenyl)thiophene-2-carboxylate?
The InChIKey is OWYFNZCGVSWJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2S/c20-14-8-6-13(7-9-14)16-10-11-17(27-16)19(25)26-12-18-21-22-23-24(18)15-4-2-1-3-5-15/h1-11H,12H2.
What are the key properties of (1-phenyltetrazol-5-yl)methyl 5-(4-fluorophenyl)thiophene-2-carboxylate?
(1-phenyltetrazol-5-yl)methyl 5-(4-fluorophenyl)thiophene-2-carboxylate has a molecular weight of 380.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyltetrazol-5-yl)methyl 5-(4-fluorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 18199547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).