4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole

C16H12ClNOS — CID 10614274

IUPAC4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C16H12ClNOS/c1-19-14-8-4-12(5-9-14)16-18-15(10-20-16)11-2-6-13(17)7-3-11/h2-10H,1H3
InChIKeyMRSAUBPYLAPSKZ-UHFFFAOYSA-N
MW301.80 g/mol
LogP5.14
Rot. Bonds3

About 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole

4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole (PubChem CID 10614274) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole
PubChem CID10614274
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC Name4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C16H12ClNOS/c1-19-14-8-4-12(5-9-14)16-18-15(10-20-16)11-2-6-13(17)7-3-11/h2-10H,1H3
InChIKeyMRSAUBPYLAPSKZ-UHFFFAOYSA-N
XLogP5.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.80
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole (CID 10614274) is 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole?
The InChIKey is MRSAUBPYLAPSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNOS/c1-19-14-8-4-12(5-9-14)16-18-15(10-20-16)11-2-6-13(17)7-3-11/h2-10H,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole?
4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole has a molecular weight of 301.80 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 10614274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).