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

C15H11ClN2S — CID 22437415

IUPAC5-(2-chlorophenyl)-2-phenyl-1,3-thiazol-4-amine
SMILESNc1nc(-c2ccccc2)sc1-c1ccccc1Cl
InChIInChI=1S/C15H11ClN2S/c16-12-9-5-4-8-11(12)13-14(17)18-15(19-13)10-6-2-1-3-7-10/h1-9H,17H2
InChIKeyPWJRRNOKBYMDNF-UHFFFAOYSA-N
MW286.79 g/mol
LogP4.71
Rot. Bonds2

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

5-(2-chlorophenyl)-2-phenyl-1,3-thiazol-4-amine (PubChem CID 22437415) has the molecular formula C15H11ClN2S and a molecular weight of 286.79 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-phenyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-phenyl-1,3-thiazol-4-amine
PubChem CID22437415
Molecular FormulaC15H11ClN2S
Molecular Weight286.79 g/mol
Exact Mass286.03
IUPAC Name5-(2-chlorophenyl)-2-phenyl-1,3-thiazol-4-amine
SMILESNc1nc(-c2ccccc2)sc1-c1ccccc1Cl
InChIInChI=1S/C15H11ClN2S/c16-12-9-5-4-8-11(12)13-14(17)18-15(19-13)10-6-2-1-3-7-10/h1-9H,17H2
InChIKeyPWJRRNOKBYMDNF-UHFFFAOYSA-N
XLogP4.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-phenyl-1,3-thiazol-4-amine?
The IUPAC name of 5-(2-chlorophenyl)-2-phenyl-1,3-thiazol-4-amine (CID 22437415) is 5-(2-chlorophenyl)-2-phenyl-1,3-thiazol-4-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-2-phenyl-1,3-thiazol-4-amine?
The canonical SMILES for 5-(2-chlorophenyl)-2-phenyl-1,3-thiazol-4-amine is Nc1nc(-c2ccccc2)sc1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-2-phenyl-1,3-thiazol-4-amine?
The InChIKey is PWJRRNOKBYMDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S/c16-12-9-5-4-8-11(12)13-14(17)18-15(19-13)10-6-2-1-3-7-10/h1-9H,17H2.
What are the key properties of 5-(2-chlorophenyl)-2-phenyl-1,3-thiazol-4-amine?
5-(2-chlorophenyl)-2-phenyl-1,3-thiazol-4-amine has a molecular weight of 286.79 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-phenyl-1,3-thiazol-4-amine is sourced from PubChem (CID 22437415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).