3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

C14H14ClFN2OS — CID 63679014

IUPAC3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C14H14ClFN2OS/c1-14(2,8-15)12(19)18-13-17-11(7-20-13)9-3-5-10(16)6-4-9/h3-7H,8H2,1-2H3,(H,17,18,19)
InChIKeyBMXLRCWPUFMNII-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.15
Rot. Bonds4

About 3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 63679014) has the molecular formula C14H14ClFN2OS and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID63679014
Molecular FormulaC14H14ClFN2OS
Molecular Weight312.80 g/mol
Exact Mass312.05
IUPAC Name3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C14H14ClFN2OS/c1-14(2,8-15)12(19)18-13-17-11(7-20-13)9-3-5-10(16)6-4-9/h3-7H,8H2,1-2H3,(H,17,18,19)
InChIKeyBMXLRCWPUFMNII-UHFFFAOYSA-N
XLogP4.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 133371380
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
CID 112767499
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]heptanamide
CID 4196747
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-methoxyethyl)urea
CID 45497113
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333
4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
2-aminoethanol;2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
CID 13177617
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 156772101

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 63679014) is 3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is BMXLRCWPUFMNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2OS/c1-14(2,8-15)12(19)18-13-17-11(7-20-13)9-3-5-10(16)6-4-9/h3-7H,8H2,1-2H3,(H,17,18,19).
What are the key properties of 3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 312.80 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 63679014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).