N-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine

C16H13ClN2S — CID 2368851

IUPACN-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCc1sc(Nc2ccccc2Cl)nc1-c1ccccc1
InChIInChI=1S/C16H13ClN2S/c1-11-15(12-7-3-2-4-8-12)19-16(20-11)18-14-10-6-5-9-13(14)17/h2-10H,1H3,(H,18,19)
InChIKeyJUPJYMIXQBIHBD-UHFFFAOYSA-N
MW300.81 g/mol
LogP5.52
Rot. Bonds3

About N-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine

N-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 2368851) has the molecular formula C16H13ClN2S and a molecular weight of 300.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID2368851
Molecular FormulaC16H13ClN2S
Molecular Weight300.81 g/mol
Exact Mass300.05
IUPAC NameN-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCc1sc(Nc2ccccc2Cl)nc1-c1ccccc1
InChIInChI=1S/C16H13ClN2S/c1-11-15(12-7-3-2-4-8-12)19-16(20-11)18-14-10-6-5-9-13(14)17/h2-10H,1H3,(H,18,19)
InChIKeyJUPJYMIXQBIHBD-UHFFFAOYSA-N
XLogP5.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.81
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine (CID 2368851) is N-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine is Cc1sc(Nc2ccccc2Cl)nc1-c1ccccc1.
What is the InChIKey of N-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is JUPJYMIXQBIHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2S/c1-11-15(12-7-3-2-4-8-12)19-16(20-11)18-14-10-6-5-9-13(14)17/h2-10H,1H3,(H,18,19).
What are the key properties of N-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
N-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 300.81 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2368851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).