4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C19H15ClFN3O2S — CID 71114305

IUPAC4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)(NC(=O)c1sc(-c2cccnc2)nc1Cl)C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H15ClFN3O2S/c1-19(2,15(25)11-5-7-13(21)8-6-11)24-17(26)14-16(20)23-18(27-14)12-4-3-9-22-10-12/h3-10H,1-2H3,(H,24,26)
InChIKeyVVABCUFJQYNDFG-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.39
Rot. Bonds5

About 4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 71114305) has the molecular formula C19H15ClFN3O2S and a molecular weight of 403.87 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID71114305
Molecular FormulaC19H15ClFN3O2S
Molecular Weight403.87 g/mol
Exact Mass403.06
IUPAC Name4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)(NC(=O)c1sc(-c2cccnc2)nc1Cl)C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H15ClFN3O2S/c1-19(2,15(25)11-5-7-13(21)8-6-11)24-17(26)14-16(20)23-18(27-14)12-4-3-9-22-10-12/h3-10H,1-2H3,(H,24,26)
InChIKeyVVABCUFJQYNDFG-UHFFFAOYSA-N
XLogP4.39
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-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 4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 71114305) is 4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is CC(C)(NC(=O)c1sc(-c2cccnc2)nc1Cl)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is VVABCUFJQYNDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2S/c1-19(2,15(25)11-5-7-13(21)8-6-11)24-17(26)14-16(20)23-18(27-14)12-4-3-9-22-10-12/h3-10H,1-2H3,(H,24,26).
What are the key properties of 4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71114305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).