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

C17H15ClN2S — CID 53338366

IUPACN-(2-chlorophenyl)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(Nc3ccccc3Cl)sc2C)cc1
InChIInChI=1S/C17H15ClN2S/c1-11-7-9-13(10-8-11)16-12(2)21-17(20-16)19-15-6-4-3-5-14(15)18/h3-10H,1-2H3,(H,19,20)
InChIKeyZGYHHJKOGRMFCD-UHFFFAOYSA-N
MW314.84 g/mol
LogP5.82
Rot. Bonds3

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

N-(2-chlorophenyl)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 53338366) has the molecular formula C17H15ClN2S and a molecular weight of 314.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID53338366
Molecular FormulaC17H15ClN2S
Molecular Weight314.84 g/mol
Exact Mass314.06
IUPAC NameN-(2-chlorophenyl)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(Nc3ccccc3Cl)sc2C)cc1
InChIInChI=1S/C17H15ClN2S/c1-11-7-9-13(10-8-11)16-12(2)21-17(20-16)19-15-6-4-3-5-14(15)18/h3-10H,1-2H3,(H,19,20)
InChIKeyZGYHHJKOGRMFCD-UHFFFAOYSA-N
XLogP5.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.84
LogP ≤ 55.82
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-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chlorophenyl)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine (CID 53338366) is N-(2-chlorophenyl)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine is Cc1ccc(-c2nc(Nc3ccccc3Cl)sc2C)cc1.
What is the InChIKey of N-(2-chlorophenyl)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is ZGYHHJKOGRMFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2S/c1-11-7-9-13(10-8-11)16-12(2)21-17(20-16)19-15-6-4-3-5-14(15)18/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(2-chlorophenyl)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine?
N-(2-chlorophenyl)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 314.84 g/mol, XLogP of 5.82, 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-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 53338366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).