4-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-N-ethylaniline

C18H17ClN2S — CID 167848526

IUPAC4-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-N-ethylaniline
SMILESCCNc1ccc(-c2nc(-c3ccc(Cl)cc3)c(C)s2)cc1
InChIInChI=1S/C18H17ClN2S/c1-3-20-16-10-6-14(7-11-16)18-21-17(12(2)22-18)13-4-8-15(19)9-5-13/h4-11,20H,3H2,1-2H3
InChIKeySYKMKMSTYVMJSG-UHFFFAOYSA-N
MW328.87 g/mol
LogP5.87
Rot. Bonds4

About 4-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-N-ethylaniline

4-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-N-ethylaniline (PubChem CID 167848526) has the molecular formula C18H17ClN2S and a molecular weight of 328.87 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-N-ethylaniline.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-N-ethylaniline
PubChem CID167848526
Molecular FormulaC18H17ClN2S
Molecular Weight328.87 g/mol
Exact Mass328.08
IUPAC Name4-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-N-ethylaniline
SMILESCCNc1ccc(-c2nc(-c3ccc(Cl)cc3)c(C)s2)cc1
InChIInChI=1S/C18H17ClN2S/c1-3-20-16-10-6-14(7-11-16)18-21-17(12(2)22-18)13-4-8-15(19)9-5-13/h4-11,20H,3H2,1-2H3
InChIKeySYKMKMSTYVMJSG-UHFFFAOYSA-N
XLogP5.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.87
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-N-ethylaniline?
The IUPAC name of 4-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-N-ethylaniline (CID 167848526) is 4-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-N-ethylaniline.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-N-ethylaniline?
The canonical SMILES for 4-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-N-ethylaniline is CCNc1ccc(-c2nc(-c3ccc(Cl)cc3)c(C)s2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-N-ethylaniline?
The InChIKey is SYKMKMSTYVMJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2S/c1-3-20-16-10-6-14(7-11-16)18-21-17(12(2)22-18)13-4-8-15(19)9-5-13/h4-11,20H,3H2,1-2H3.
What are the key properties of 4-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-N-ethylaniline?
4-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-N-ethylaniline has a molecular weight of 328.87 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-N-ethylaniline is sourced from PubChem (CID 167848526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).