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

C16H13ClN2OS — CID 690276

IUPAC4-(4-chlorophenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(Nc2nc(-c3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C16H13ClN2OS/c1-20-14-4-2-3-13(9-14)18-16-19-15(10-21-16)11-5-7-12(17)8-6-11/h2-10H,1H3,(H,18,19)
InChIKeyACXKDXTUVJOMKX-UHFFFAOYSA-N
MW316.81 g/mol
LogP5.22
Rot. Bonds4

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

4-(4-chlorophenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 690276) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID690276
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name4-(4-chlorophenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(Nc2nc(-c3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C16H13ClN2OS/c1-20-14-4-2-3-13(9-14)18-16-19-15(10-21-16)11-5-7-12(17)8-6-11/h2-10H,1H3,(H,18,19)
InChIKeyACXKDXTUVJOMKX-UHFFFAOYSA-N
XLogP5.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.81
LogP ≤ 55.22
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-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine (CID 690276) is 4-(4-chlorophenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine is COc1cccc(Nc2nc(-c3ccc(Cl)cc3)cs2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is ACXKDXTUVJOMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-20-14-4-2-3-13(9-14)18-16-19-15(10-21-16)11-5-7-12(17)8-6-11/h2-10H,1H3,(H,18,19).
What are the key properties of 4-(4-chlorophenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 316.81 g/mol, XLogP of 5.22, 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-(3-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 690276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).