2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(2,4-difluorophenyl)-1,3-thiazole

C16H14ClF2N3S — CID 19589763

IUPAC2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(2,4-difluorophenyl)-1,3-thiazole
SMILESCc1nn(CCc2nc(-c3ccc(F)cc3F)cs2)c(C)c1Cl
InChIInChI=1S/C16H14ClF2N3S/c1-9-16(17)10(2)22(21-9)6-5-15-20-14(8-23-15)12-4-3-11(18)7-13(12)19/h3-4,7-8H,5-6H2,1-2H3
InChIKeyRNEOTDMVZISDBZ-UHFFFAOYSA-N
MW353.83 g/mol
LogP4.80
Rot. Bonds4

About 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(2,4-difluorophenyl)-1,3-thiazole

2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(2,4-difluorophenyl)-1,3-thiazole (PubChem CID 19589763) has the molecular formula C16H14ClF2N3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(2,4-difluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(2,4-difluorophenyl)-1,3-thiazole
PubChem CID19589763
Molecular FormulaC16H14ClF2N3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(2,4-difluorophenyl)-1,3-thiazole
SMILESCc1nn(CCc2nc(-c3ccc(F)cc3F)cs2)c(C)c1Cl
InChIInChI=1S/C16H14ClF2N3S/c1-9-16(17)10(2)22(21-9)6-5-15-20-14(8-23-15)12-4-3-11(18)7-13(12)19/h3-4,7-8H,5-6H2,1-2H3
InChIKeyRNEOTDMVZISDBZ-UHFFFAOYSA-N
XLogP4.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(2,4-difluorophenyl)-1,3-thiazole 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

5-[1-[(4-Fluorophenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
CID 1476746
2-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 2327977
4-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole
CID 2768051
4-(4-Tert-butylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
CID 2370269
2-(4-Chloro-1-methylpyrazol-3-yl)-4-(4-chlorophenyl)-1,3-thiazole
CID 2726922
4-(4-Chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]thiazole
CID 45277096
4-(3,4-Dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
CID 2370852
2-(3-Methylsulfanyl-1-phenylpyrazol-4-yl)-4-phenyl-1,3-thiazole
CID 2822356
5-(6-((2-Chloro-6-fluorobenzyl)thio)pyridazin-3-yl)-2,4-dimethylthiazole
CID 7222638
2-[(4-Bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-(4-chlorophenyl)-1,3-thiazole
CID 2820318
4-(4-Chlorophenyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole
CID 71732865
2-[3-(4-Fluorophenyl)-1-phenylpyrazol-4-yl]-4-phenyl-1,3-thiazole
CID 71732866

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(2,4-difluorophenyl)-1,3-thiazole?
The IUPAC name of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(2,4-difluorophenyl)-1,3-thiazole (CID 19589763) is 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(2,4-difluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(2,4-difluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(2,4-difluorophenyl)-1,3-thiazole is Cc1nn(CCc2nc(-c3ccc(F)cc3F)cs2)c(C)c1Cl.
What is the InChIKey of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(2,4-difluorophenyl)-1,3-thiazole?
The InChIKey is RNEOTDMVZISDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N3S/c1-9-16(17)10(2)22(21-9)6-5-15-20-14(8-23-15)12-4-3-11(18)7-13(12)19/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(2,4-difluorophenyl)-1,3-thiazole?
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(2,4-difluorophenyl)-1,3-thiazole has a molecular weight of 353.83 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(2,4-difluorophenyl)-1,3-thiazole is sourced from PubChem (CID 19589763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).