1-(4-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone

C11H10ClNOS2 — CID 867566

IUPAC1-(4-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSC1=NCCS1)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNOS2/c12-9-3-1-8(2-4-9)10(14)7-16-11-13-5-6-15-11/h1-4H,5-7H2
InChIKeyMKBJBPCBPAJWIV-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.36
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone

1-(4-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone (PubChem CID 867566) has the molecular formula C11H10ClNOS2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone
PubChem CID867566
Molecular FormulaC11H10ClNOS2
Molecular Weight271.79 g/mol
Exact Mass270.99
IUPAC Name1-(4-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSC1=NCCS1)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNOS2/c12-9-3-1-8(2-4-9)10(14)7-16-11-13-5-6-15-11/h1-4H,5-7H2
InChIKeyMKBJBPCBPAJWIV-UHFFFAOYSA-N
XLogP3.36
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone (CID 867566) is 1-(4-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone is O=C(CSC1=NCCS1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone?
The InChIKey is MKBJBPCBPAJWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS2/c12-9-3-1-8(2-4-9)10(14)7-16-11-13-5-6-15-11/h1-4H,5-7H2.
What are the key properties of 1-(4-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone?
1-(4-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone has a molecular weight of 271.79 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 867566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).