2-anilino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

C17H14FN3OS — CID 30860113

IUPAC2-anilino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C17H14FN3OS/c18-13-8-6-12(7-9-13)10-19-16(22)15-11-23-17(21-15)20-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,19,22)(H,20,21)
InChIKeyXFVCONHPILMEDI-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.96
Rot. Bonds5

About 2-anilino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

2-anilino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 30860113) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-anilino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID30860113
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name2-anilino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C17H14FN3OS/c18-13-8-6-12(7-9-13)10-19-16(22)15-11-23-17(21-15)20-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,19,22)(H,20,21)
InChIKeyXFVCONHPILMEDI-UHFFFAOYSA-N
XLogP3.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-anilino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 30860113) is 2-anilino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-anilino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-anilino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1ccc(F)cc1)c1csc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XFVCONHPILMEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c18-13-8-6-12(7-9-13)10-19-16(22)15-11-23-17(21-15)20-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,19,22)(H,20,21).
What are the key properties of 2-anilino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
2-anilino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 30860113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).