2-(4-chlorophenyl)sulfanyl-4,5-dihydro-1,3-thiazole

C9H8ClNS2 — CID 22016848

IUPAC2-(4-chlorophenyl)sulfanyl-4,5-dihydro-1,3-thiazole
SMILESClc1ccc(SC2=NCCS2)cc1
InChIInChI=1S/C9H8ClNS2/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h1-4H,5-6H2
InChIKeyDQCJBIUQXDXZHN-UHFFFAOYSA-N
MW229.76 g/mol
LogP3.53
Rot. Bonds1

About 2-(4-chlorophenyl)sulfanyl-4,5-dihydro-1,3-thiazole

2-(4-chlorophenyl)sulfanyl-4,5-dihydro-1,3-thiazole (PubChem CID 22016848) has the molecular formula C9H8ClNS2 and a molecular weight of 229.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-4,5-dihydro-1,3-thiazole
PubChem CID22016848
Molecular FormulaC9H8ClNS2
Molecular Weight229.76 g/mol
Exact Mass228.98
IUPAC Name2-(4-chlorophenyl)sulfanyl-4,5-dihydro-1,3-thiazole
SMILESClc1ccc(SC2=NCCS2)cc1
InChIInChI=1S/C9H8ClNS2/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h1-4H,5-6H2
InChIKeyDQCJBIUQXDXZHN-UHFFFAOYSA-N
XLogP3.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.76
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-4,5-dihydro-1,3-thiazole (CID 22016848) is 2-(4-chlorophenyl)sulfanyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-4,5-dihydro-1,3-thiazole is Clc1ccc(SC2=NCCS2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-4,5-dihydro-1,3-thiazole?
The InChIKey is DQCJBIUQXDXZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNS2/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h1-4H,5-6H2.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-4,5-dihydro-1,3-thiazole?
2-(4-chlorophenyl)sulfanyl-4,5-dihydro-1,3-thiazole has a molecular weight of 229.76 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 22016848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).