2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide

C18H13FN6OS — CID 86983157

IUPAC2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1nnnn1-c1cccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C18H13FN6OS/c1-11-22-23-24-25(11)15-4-2-3-14(9-15)20-17(26)16-10-27-18(21-16)12-5-7-13(19)8-6-12/h2-10H,1H3,(H,20,26)
InChIKeyLMXITQPDUFLODB-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.49
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide

2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 86983157) has the molecular formula C18H13FN6OS and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID86983157
Molecular FormulaC18H13FN6OS
Molecular Weight380.41 g/mol
Exact Mass380.09
IUPAC Name2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1nnnn1-c1cccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C18H13FN6OS/c1-11-22-23-24-25(11)15-4-2-3-14(9-15)20-17(26)16-10-27-18(21-16)12-5-7-13(19)8-6-12/h2-10H,1H3,(H,20,26)
InChIKeyLMXITQPDUFLODB-UHFFFAOYSA-N
XLogP3.49
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 169152175
2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]quinoline-4-carboxamide
CID 46468871
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 56507438
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136579582
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 86988801
N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 9455109
N-(4-acetamido-3-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 87001763
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763
N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18197950
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide
CID 131889333
1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 55698026

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 86983157) is 2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide is Cc1nnnn1-c1cccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LMXITQPDUFLODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6OS/c1-11-22-23-24-25(11)15-4-2-3-14(9-15)20-17(26)16-10-27-18(21-16)12-5-7-13(19)8-6-12/h2-10H,1H3,(H,20,26).
What are the key properties of 2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86983157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).