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

C11H11Cl2NS — CID 70299624

IUPAC(4R)-5-(3,4-dichlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole
SMILESCC1=N[C@H](C)C(c2ccc(Cl)c(Cl)c2)S1
InChIInChI=1S/C11H11Cl2NS/c1-6-11(15-7(2)14-6)8-3-4-9(12)10(13)5-8/h3-6,11H,1-2H3/t6-,11?/m1/s1
InChIKeyQDIMDINUKYHCKC-TZRNXQDGSA-N
MW260.19 g/mol
LogP4.59
Rot. Bonds1

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

(4R)-5-(3,4-dichlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole (PubChem CID 70299624) has the molecular formula C11H11Cl2NS and a molecular weight of 260.19 g/mol. Its IUPAC name is (4R)-5-(3,4-dichlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4R)-5-(3,4-dichlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole
PubChem CID70299624
Molecular FormulaC11H11Cl2NS
Molecular Weight260.19 g/mol
Exact Mass259.00
IUPAC Name(4R)-5-(3,4-dichlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole
SMILESCC1=N[C@H](C)C(c2ccc(Cl)c(Cl)c2)S1
InChIInChI=1S/C11H11Cl2NS/c1-6-11(15-7(2)14-6)8-3-4-9(12)10(13)5-8/h3-6,11H,1-2H3/t6-,11?/m1/s1
InChIKeyQDIMDINUKYHCKC-TZRNXQDGSA-N
XLogP4.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-(3,4-dichlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4R)-5-(3,4-dichlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole (CID 70299624) is (4R)-5-(3,4-dichlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4R)-5-(3,4-dichlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4R)-5-(3,4-dichlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole is CC1=N[C@H](C)C(c2ccc(Cl)c(Cl)c2)S1.
What is the InChIKey of (4R)-5-(3,4-dichlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole?
The InChIKey is QDIMDINUKYHCKC-TZRNXQDGSA-N. The full InChI is InChI=1S/C11H11Cl2NS/c1-6-11(15-7(2)14-6)8-3-4-9(12)10(13)5-8/h3-6,11H,1-2H3/t6-,11?/m1/s1.
What are the key properties of (4R)-5-(3,4-dichlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole?
(4R)-5-(3,4-dichlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole has a molecular weight of 260.19 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(3,4-dichlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 70299624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).