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

C17H15ClN2S — CID 138966045

IUPAC5-(4-chlorophenyl)-4-ethyl-N-phenyl-1,3-thiazol-2-amine
SMILESCCc1nc(Nc2ccccc2)sc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2S/c1-2-15-16(12-8-10-13(18)11-9-12)21-17(20-15)19-14-6-4-3-5-7-14/h3-11H,2H2,1H3,(H,19,20)
InChIKeyZGYGRTPKKRSWCF-UHFFFAOYSA-N
MW314.84 g/mol
LogP5.77
Rot. Bonds4

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

5-(4-chlorophenyl)-4-ethyl-N-phenyl-1,3-thiazol-2-amine (PubChem CID 138966045) has the molecular formula C17H15ClN2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-ethyl-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-ethyl-N-phenyl-1,3-thiazol-2-amine
PubChem CID138966045
Molecular FormulaC17H15ClN2S
Molecular Weight314.84 g/mol
Exact Mass314.06
IUPAC Name5-(4-chlorophenyl)-4-ethyl-N-phenyl-1,3-thiazol-2-amine
SMILESCCc1nc(Nc2ccccc2)sc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2S/c1-2-15-16(12-8-10-13(18)11-9-12)21-17(20-15)19-14-6-4-3-5-7-14/h3-11H,2H2,1H3,(H,19,20)
InChIKeyZGYGRTPKKRSWCF-UHFFFAOYSA-N
XLogP5.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.84
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-ethyl-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-4-ethyl-N-phenyl-1,3-thiazol-2-amine (CID 138966045) is 5-(4-chlorophenyl)-4-ethyl-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-ethyl-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-4-ethyl-N-phenyl-1,3-thiazol-2-amine is CCc1nc(Nc2ccccc2)sc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-ethyl-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is ZGYGRTPKKRSWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2S/c1-2-15-16(12-8-10-13(18)11-9-12)21-17(20-15)19-14-6-4-3-5-7-14/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of 5-(4-chlorophenyl)-4-ethyl-N-phenyl-1,3-thiazol-2-amine?
5-(4-chlorophenyl)-4-ethyl-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 314.84 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-ethyl-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 138966045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).