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

C17H15ClN2OS — CID 722563

IUPAC4-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1
InChIInChI=1S/C17H15ClN2OS/c1-11-16(12-3-5-13(18)6-4-12)20-17(22-11)19-14-7-9-15(21-2)10-8-14/h3-10H,1-2H3,(H,19,20)
InChIKeyKMIMBUITWSNWCW-UHFFFAOYSA-N
MW330.84 g/mol
LogP5.52
Rot. Bonds4

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

4-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 722563) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID722563
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name4-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1
InChIInChI=1S/C17H15ClN2OS/c1-11-16(12-3-5-13(18)6-4-12)20-17(22-11)19-14-7-9-15(21-2)10-8-14/h3-10H,1-2H3,(H,19,20)
InChIKeyKMIMBUITWSNWCW-UHFFFAOYSA-N
XLogP5.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.84
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine (CID 722563) is 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is KMIMBUITWSNWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-11-16(12-3-5-13(18)6-4-12)20-17(22-11)19-14-7-9-15(21-2)10-8-14/h3-10H,1-2H3,(H,19,20).
What are the key properties of 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 330.84 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 722563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).