[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone

C16H8Cl3NOS — CID 3851581

IUPAC[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone
SMILESO=C(c1cnc(-c2ccc(Cl)cc2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H8Cl3NOS/c17-10-3-1-9(2-4-10)16-20-8-14(22-16)15(21)12-6-5-11(18)7-13(12)19/h1-8H
InChIKeyWDLMROXJUHCYDJ-UHFFFAOYSA-N
MW368.67 g/mol
LogP6.00
Rot. Bonds3

About [2-(4-chlorophenyl)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone

[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone (PubChem CID 3851581) has the molecular formula C16H8Cl3NOS and a molecular weight of 368.67 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone
PubChem CID3851581
Molecular FormulaC16H8Cl3NOS
Molecular Weight368.67 g/mol
Exact Mass366.94
IUPAC Name[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone
SMILESO=C(c1cnc(-c2ccc(Cl)cc2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H8Cl3NOS/c17-10-3-1-9(2-4-10)16-20-8-14(22-16)15(21)12-6-5-11(18)7-13(12)19/h1-8H
InChIKeyWDLMROXJUHCYDJ-UHFFFAOYSA-N
XLogP6.00
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.67
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [2-(4-chlorophenyl)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone (CID 3851581) is [2-(4-chlorophenyl)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone is O=C(c1cnc(-c2ccc(Cl)cc2)s1)c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(4-chlorophenyl)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone?
The InChIKey is WDLMROXJUHCYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl3NOS/c17-10-3-1-9(2-4-10)16-20-8-14(22-16)15(21)12-6-5-11(18)7-13(12)19/h1-8H.
What are the key properties of [2-(4-chlorophenyl)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone?
[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone has a molecular weight of 368.67 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 3851581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).