[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine

C11H10ClFN2S — CID 116964901

IUPAC[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCc1cc(Cl)c(-c2csc(CN)n2)cc1F
InChIInChI=1S/C11H10ClFN2S/c1-6-2-8(12)7(3-9(6)13)10-5-16-11(4-14)15-10/h2-3,5H,4,14H2,1H3
InChIKeyHKROFGLMFKCVEO-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.37
Rot. Bonds2

About [4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine

[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 116964901) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is [4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine
PubChem CID116964901
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCc1cc(Cl)c(-c2csc(CN)n2)cc1F
InChIInChI=1S/C11H10ClFN2S/c1-6-2-8(12)7(3-9(6)13)10-5-16-11(4-14)15-10/h2-3,5H,4,14H2,1H3
InChIKeyHKROFGLMFKCVEO-UHFFFAOYSA-N
XLogP3.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine 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

4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole
CID 116967902
2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole
CID 116968150
4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine
CID 80717940
1-[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone
CID 116867500
[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
CID 3941656
4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine
CID 116897024
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
CID 3299475
[4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 66380335
1-[4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 61338792
3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole
CID 116856670
[4-(2-ethoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
CID 5039538
[4-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
CID 3932194

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine (CID 116964901) is [4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine is Cc1cc(Cl)c(-c2csc(CN)n2)cc1F.
What is the InChIKey of [4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is HKROFGLMFKCVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c1-6-2-8(12)7(3-9(6)13)10-5-16-11(4-14)15-10/h2-3,5H,4,14H2,1H3.
What are the key properties of [4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine?
[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 256.73 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 116964901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).