5-(3,5-difluoroanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide

C17H13F3N4OS — CID 90854911

IUPAC5-(3,5-difluoroanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)c(C)n2)c(Nc2cc(F)cc(F)c2)s1
InChIInChI=1S/C17H13F3N4OS/c1-8-13(20)3-4-14(21-8)24-16(25)15-17(26-9(2)22-15)23-12-6-10(18)5-11(19)7-12/h3-7,23H,1-2H3,(H,21,24,25)
InChIKeyDEVNUKHJDKISEC-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.57
Rot. Bonds4

About 5-(3,5-difluoroanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide

5-(3,5-difluoroanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 90854911) has the molecular formula C17H13F3N4OS and a molecular weight of 378.38 g/mol. Its IUPAC name is 5-(3,5-difluoroanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,5-difluoroanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID90854911
Molecular FormulaC17H13F3N4OS
Molecular Weight378.38 g/mol
Exact Mass378.08
IUPAC Name5-(3,5-difluoroanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)c(C)n2)c(Nc2cc(F)cc(F)c2)s1
InChIInChI=1S/C17H13F3N4OS/c1-8-13(20)3-4-14(21-8)24-16(25)15-17(26-9(2)22-15)23-12-6-10(18)5-11(19)7-12/h3-7,23H,1-2H3,(H,21,24,25)
InChIKeyDEVNUKHJDKISEC-UHFFFAOYSA-N
XLogP4.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3,5-difluoroanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluoroanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(3,5-difluoroanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 90854911) is 5-(3,5-difluoroanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(3,5-difluoroanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(3,5-difluoroanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(F)c(C)n2)c(Nc2cc(F)cc(F)c2)s1.
What is the InChIKey of 5-(3,5-difluoroanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is DEVNUKHJDKISEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4OS/c1-8-13(20)3-4-14(21-8)24-16(25)15-17(26-9(2)22-15)23-12-6-10(18)5-11(19)7-12/h3-7,23H,1-2H3,(H,21,24,25).
What are the key properties of 5-(3,5-difluoroanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide?
5-(3,5-difluoroanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluoroanilino)-N-(5-fluoro-6-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90854911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).