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

C16H12FN3OS — CID 30860132

IUPAC2-anilino-N-(3-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C16H12FN3OS/c17-11-5-4-8-13(9-11)18-15(21)14-10-22-16(20-14)19-12-6-2-1-3-7-12/h1-10H,(H,18,21)(H,19,20)
InChIKeyZETZHNBDEPTICQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.28
Rot. Bonds4

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

2-anilino-N-(3-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 30860132) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-anilino-N-(3-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(3-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID30860132
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC Name2-anilino-N-(3-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C16H12FN3OS/c17-11-5-4-8-13(9-11)18-15(21)14-10-22-16(20-14)19-12-6-2-1-3-7-12/h1-10H,(H,18,21)(H,19,20)
InChIKeyZETZHNBDEPTICQ-UHFFFAOYSA-N
XLogP4.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(3-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-anilino-N-(3-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 30860132) is 2-anilino-N-(3-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-anilino-N-(3-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-anilino-N-(3-fluorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cccc(F)c1)c1csc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-N-(3-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZETZHNBDEPTICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS/c17-11-5-4-8-13(9-11)18-15(21)14-10-22-16(20-14)19-12-6-2-1-3-7-12/h1-10H,(H,18,21)(H,19,20).
What are the key properties of 2-anilino-N-(3-fluorophenyl)-1,3-thiazole-4-carboxamide?
2-anilino-N-(3-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(3-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 30860132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).