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

C16H12ClFN2S — CID 793575

IUPACN-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1Cl
InChIInChI=1S/C16H12ClFN2S/c1-10-2-7-13(8-14(10)17)19-16-20-15(9-21-16)11-3-5-12(18)6-4-11/h2-9H,1H3,(H,19,20)
InChIKeyURKLHBHVXQPZCM-UHFFFAOYSA-N
MW318.80 g/mol
LogP5.65
Rot. Bonds3

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

N-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 793575) has the molecular formula C16H12ClFN2S and a molecular weight of 318.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID793575
Molecular FormulaC16H12ClFN2S
Molecular Weight318.80 g/mol
Exact Mass318.04
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1Cl
InChIInChI=1S/C16H12ClFN2S/c1-10-2-7-13(8-14(10)17)19-16-20-15(9-21-16)11-3-5-12(18)6-4-11/h2-9H,1H3,(H,19,20)
InChIKeyURKLHBHVXQPZCM-UHFFFAOYSA-N
XLogP5.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.80
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine (CID 793575) is N-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is URKLHBHVXQPZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2S/c1-10-2-7-13(8-14(10)17)19-16-20-15(9-21-16)11-3-5-12(18)6-4-11/h2-9H,1H3,(H,19,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
N-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 318.80 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 793575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).