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

C11H12ClNS — CID 70298385

IUPAC(4R)-5-(4-chlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole
SMILESCC1=N[C@H](C)C(c2ccc(Cl)cc2)S1
InChIInChI=1S/C11H12ClNS/c1-7-11(14-8(2)13-7)9-3-5-10(12)6-4-9/h3-7,11H,1-2H3/t7-,11?/m1/s1
InChIKeyYUADKVLZOYMVKN-DKSCNQEISA-N
MW225.74 g/mol
LogP3.93
Rot. Bonds1

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

(4R)-5-(4-chlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole (PubChem CID 70298385) has the molecular formula C11H12ClNS and a molecular weight of 225.74 g/mol. Its IUPAC name is (4R)-5-(4-chlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4R)-5-(4-chlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole
PubChem CID70298385
Molecular FormulaC11H12ClNS
Molecular Weight225.74 g/mol
Exact Mass225.04
IUPAC Name(4R)-5-(4-chlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole
SMILESCC1=N[C@H](C)C(c2ccc(Cl)cc2)S1
InChIInChI=1S/C11H12ClNS/c1-7-11(14-8(2)13-7)9-3-5-10(12)6-4-9/h3-7,11H,1-2H3/t7-,11?/m1/s1
InChIKeyYUADKVLZOYMVKN-DKSCNQEISA-N
XLogP3.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-(4-chlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4R)-5-(4-chlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole (CID 70298385) is (4R)-5-(4-chlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4R)-5-(4-chlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4R)-5-(4-chlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole is CC1=N[C@H](C)C(c2ccc(Cl)cc2)S1.
What is the InChIKey of (4R)-5-(4-chlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole?
The InChIKey is YUADKVLZOYMVKN-DKSCNQEISA-N. The full InChI is InChI=1S/C11H12ClNS/c1-7-11(14-8(2)13-7)9-3-5-10(12)6-4-9/h3-7,11H,1-2H3/t7-,11?/m1/s1.
What are the key properties of (4R)-5-(4-chlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole?
(4R)-5-(4-chlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole has a molecular weight of 225.74 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(4-chlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 70298385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).