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

C11H12ClNS2 — CID 22935358

IUPAC5-(4-chlorophenyl)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole
SMILESCSC1=NC(C)C(c2ccc(Cl)cc2)S1
InChIInChI=1S/C11H12ClNS2/c1-7-10(15-11(13-7)14-2)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3
InChIKeyVUNNZCRNPTUHLU-UHFFFAOYSA-N
MW257.81 g/mol
LogP4.24
Rot. Bonds1

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

5-(4-chlorophenyl)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole (PubChem CID 22935358) has the molecular formula C11H12ClNS2 and a molecular weight of 257.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole
PubChem CID22935358
Molecular FormulaC11H12ClNS2
Molecular Weight257.81 g/mol
Exact Mass257.01
IUPAC Name5-(4-chlorophenyl)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole
SMILESCSC1=NC(C)C(c2ccc(Cl)cc2)S1
InChIInChI=1S/C11H12ClNS2/c1-7-10(15-11(13-7)14-2)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3
InChIKeyVUNNZCRNPTUHLU-UHFFFAOYSA-N
XLogP4.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole (CID 22935358) is 5-(4-chlorophenyl)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole is CSC1=NC(C)C(c2ccc(Cl)cc2)S1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole?
The InChIKey is VUNNZCRNPTUHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNS2/c1-7-10(15-11(13-7)14-2)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole?
5-(4-chlorophenyl)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole has a molecular weight of 257.81 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 22935358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).