4-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine

C10H8ClFN2S — CID 83152809

IUPAC4-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(Cl)cs2)cc1F
InChIInChI=1S/C10H8ClFN2S/c1-6-2-3-7(4-8(6)12)13-10-14-9(11)5-15-10/h2-5H,1H3,(H,13,14)
InChIKeyOQTHDOQBKSCXRC-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.99
Rot. Bonds2

About 4-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine

4-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 83152809) has the molecular formula C10H8ClFN2S and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID83152809
Molecular FormulaC10H8ClFN2S
Molecular Weight242.71 g/mol
Exact Mass242.01
IUPAC Name4-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(Cl)cs2)cc1F
InChIInChI=1S/C10H8ClFN2S/c1-6-2-3-7(4-8(6)12)13-10-14-9(11)5-15-10/h2-5H,1H3,(H,13,14)
InChIKeyOQTHDOQBKSCXRC-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-chloro-4-methylphenyl)-1,3-thiazol-2-amine
CID 83152094
N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 87538093
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine
CID 107593321
methyl 3-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039932
5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 24505655
4-bromo-N-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine
CID 79398809
4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-amine
CID 83152566
N-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine
CID 83156364
4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine
CID 83152683
4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 83153410
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 90506222
N-[[4-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 24505657

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine (CID 83152809) is 4-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(Cl)cs2)cc1F.
What is the InChIKey of 4-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is OQTHDOQBKSCXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2S/c1-6-2-3-7(4-8(6)12)13-10-14-9(11)5-15-10/h2-5H,1H3,(H,13,14).
What are the key properties of 4-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine?
4-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 242.71 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83152809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).