4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole

C17H14ClNOS — CID 84567479

IUPAC4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole
SMILESCOc1ccc(Cc2nc(-c3cccc(Cl)c3)cs2)cc1
InChIInChI=1S/C17H14ClNOS/c1-20-15-7-5-12(6-8-15)9-17-19-16(11-21-17)13-3-2-4-14(18)10-13/h2-8,10-11H,9H2,1H3
InChIKeyWSXLDRRHGPDNJL-UHFFFAOYSA-N
MW315.83 g/mol
LogP5.06
Rot. Bonds4

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

4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole (PubChem CID 84567479) has the molecular formula C17H14ClNOS and a molecular weight of 315.83 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole
PubChem CID84567479
Molecular FormulaC17H14ClNOS
Molecular Weight315.83 g/mol
Exact Mass315.05
IUPAC Name4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole
SMILESCOc1ccc(Cc2nc(-c3cccc(Cl)c3)cs2)cc1
InChIInChI=1S/C17H14ClNOS/c1-20-15-7-5-12(6-8-15)9-17-19-16(11-21-17)13-3-2-4-14(18)10-13/h2-8,10-11H,9H2,1H3
InChIKeyWSXLDRRHGPDNJL-UHFFFAOYSA-N
XLogP5.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.83
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole?
The IUPAC name of 4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole (CID 84567479) is 4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole is COc1ccc(Cc2nc(-c3cccc(Cl)c3)cs2)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole?
The InChIKey is WSXLDRRHGPDNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNOS/c1-20-15-7-5-12(6-8-15)9-17-19-16(11-21-17)13-3-2-4-14(18)10-13/h2-8,10-11H,9H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole?
4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole has a molecular weight of 315.83 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 84567479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).