4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine

C17H15ClN2OS — CID 683848

IUPAC4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C17H15ClN2OS/c1-2-21-15-9-7-14(8-10-15)19-17-20-16(11-22-17)12-3-5-13(18)6-4-12/h3-11H,2H2,1H3,(H,19,20)
InChIKeyCSOGGODNKMDYLK-UHFFFAOYSA-N
MW330.84 g/mol
LogP5.61
Rot. Bonds5

About 4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 683848) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID683848
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C17H15ClN2OS/c1-2-21-15-9-7-14(8-10-15)19-17-20-16(11-22-17)12-3-5-13(18)6-4-12/h3-11H,2H2,1H3,(H,19,20)
InChIKeyCSOGGODNKMDYLK-UHFFFAOYSA-N
XLogP5.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.84
LogP ≤ 55.61
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-ethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine (CID 683848) is 4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine is CCOc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is CSOGGODNKMDYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-2-21-15-9-7-14(8-10-15)19-17-20-16(11-22-17)12-3-5-13(18)6-4-12/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of 4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 330.84 g/mol, XLogP of 5.61, 5 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-ethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 683848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).