2-[4-(2-chloro-3-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole

C13H9ClFN3S — CID 123715950

IUPAC2-[4-(2-chloro-3-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole
SMILESFc1cccc(C2C=CNC(c3nccs3)=N2)c1Cl
InChIInChI=1S/C13H9ClFN3S/c14-11-8(2-1-3-9(11)15)10-4-5-16-12(18-10)13-17-6-7-19-13/h1-7,10H,(H,16,18)
InChIKeyCIVDDEXXPBPALD-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.54
Rot. Bonds2

About 2-[4-(2-chloro-3-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole

2-[4-(2-chloro-3-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole (PubChem CID 123715950) has the molecular formula C13H9ClFN3S and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-[4-(2-chloro-3-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2-chloro-3-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole
PubChem CID123715950
Molecular FormulaC13H9ClFN3S
Molecular Weight293.75 g/mol
Exact Mass293.02
IUPAC Name2-[4-(2-chloro-3-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole
SMILESFc1cccc(C2C=CNC(c3nccs3)=N2)c1Cl
InChIInChI=1S/C13H9ClFN3S/c14-11-8(2-1-3-9(11)15)10-4-5-16-12(18-10)13-17-6-7-19-13/h1-7,10H,(H,16,18)
InChIKeyCIVDDEXXPBPALD-UHFFFAOYSA-N
XLogP3.54
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-chloro-3-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-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

Thiourea, N-(2-(2-chloro-6-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001094
1-(2-(2-Chlorophenyl)-1-(thiazol-2-yl)ethyl)piperazine
CID 44414810
4-(2-Chloro-4-fluorophenyl)-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 145965300
(1S)-1-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 93671968
2-[4-(2-Bromo-4-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole
CID 123701121
2-[4-(4-Chloro-2-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole
CID 123798470
[4-(2-Chloro-4-fluorophenyl)-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-5-yl]methanol
CID 124195779
1-[4-(2-chloro-4-fluorophenyl)-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-5-yl]-N,N-dimethylmethanamine
CID 124195782
2-[4-(2-Chloro-4-fluorophenyl)-5-(methoxymethyl)-6-methyl-1,4-dihydropyrimidin-2-yl]-1,3-thiazole
CID 124195784
1-[4-(2-Chloro-4-fluorophenyl)-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-5-yl]ethanone
CID 124195785
2-[4-(2-Chloro-4-fluorophenyl)-5-ethenyl-6-methyl-1,4-dihydropyrimidin-2-yl]-1,3-thiazole
CID 124195786
2-[4-(2-Chloro-4-fluorophenyl)-6-methyl-5-phenyl-1,4-dihydropyrimidin-2-yl]-1,3-thiazole
CID 124195795

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-3-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(2-chloro-3-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole (CID 123715950) is 2-[4-(2-chloro-3-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(2-chloro-3-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(2-chloro-3-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole is Fc1cccc(C2C=CNC(c3nccs3)=N2)c1Cl.
What is the InChIKey of 2-[4-(2-chloro-3-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole?
The InChIKey is CIVDDEXXPBPALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3S/c14-11-8(2-1-3-9(11)15)10-4-5-16-12(18-10)13-17-6-7-19-13/h1-7,10H,(H,16,18).
What are the key properties of 2-[4-(2-chloro-3-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole?
2-[4-(2-chloro-3-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole has a molecular weight of 293.75 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-3-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 123715950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).