4-(2,4-dichloro-5-fluorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine

C16H11Cl2FN2S — CID 10861139

IUPAC4-(2,4-dichloro-5-fluorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccccc1Nc1nc(-c2cc(F)c(Cl)cc2Cl)cs1
InChIInChI=1S/C16H11Cl2FN2S/c1-9-4-2-3-5-14(9)20-16-21-15(8-22-16)10-6-13(19)12(18)7-11(10)17/h2-8H,1H3,(H,20,21)
InChIKeyFBJHNCFLHLTAMZ-UHFFFAOYSA-N
MW353.25 g/mol
LogP6.31
Rot. Bonds3

About 4-(2,4-dichloro-5-fluorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine

4-(2,4-dichloro-5-fluorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 10861139) has the molecular formula C16H11Cl2FN2S and a molecular weight of 353.25 g/mol. Its IUPAC name is 4-(2,4-dichloro-5-fluorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dichloro-5-fluorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
PubChem CID10861139
Molecular FormulaC16H11Cl2FN2S
Molecular Weight353.25 g/mol
Exact Mass352.00
IUPAC Name4-(2,4-dichloro-5-fluorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccccc1Nc1nc(-c2cc(F)c(Cl)cc2Cl)cs1
InChIInChI=1S/C16H11Cl2FN2S/c1-9-4-2-3-5-14(9)20-16-21-15(8-22-16)10-6-13(19)12(18)7-11(10)17/h2-8H,1H3,(H,20,21)
InChIKeyFBJHNCFLHLTAMZ-UHFFFAOYSA-N
XLogP6.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.25
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-chlorophenyl)-4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine
CID 11134182
N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 157269328
N-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
CID 2745528
4-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 853927
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 126478311
N-(2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 175598206
4-(2,5-dimethylphenyl)-N-(2-ethylphenyl)-1,3-thiazol-2-amine
CID 23861845
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-fluoro-5-methylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 71396303
4-(4,8-dimethylcinnolin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 11842961
N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2132345

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloro-5-fluorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dichloro-5-fluorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine (CID 10861139) is 4-(2,4-dichloro-5-fluorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dichloro-5-fluorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dichloro-5-fluorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine is Cc1ccccc1Nc1nc(-c2cc(F)c(Cl)cc2Cl)cs1.
What is the InChIKey of 4-(2,4-dichloro-5-fluorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is FBJHNCFLHLTAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN2S/c1-9-4-2-3-5-14(9)20-16-21-15(8-22-16)10-6-13(19)12(18)7-11(10)17/h2-8H,1H3,(H,20,21).
What are the key properties of 4-(2,4-dichloro-5-fluorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine?
4-(2,4-dichloro-5-fluorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 353.25 g/mol, XLogP of 6.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichloro-5-fluorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 10861139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).