2-(3,5-dichlorophenyl)-5-propan-2-yl-1,3-thiazole

C12H11Cl2NS — CID 107918368

IUPAC2-(3,5-dichlorophenyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cnc(-c2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C12H11Cl2NS/c1-7(2)11-6-15-12(16-11)8-3-9(13)5-10(14)4-8/h3-7H,1-2H3
InChIKeyHXBKOQXXFRCRLC-UHFFFAOYSA-N
MW272.20 g/mol
LogP5.24
Rot. Bonds2

About 2-(3,5-dichlorophenyl)-5-propan-2-yl-1,3-thiazole

2-(3,5-dichlorophenyl)-5-propan-2-yl-1,3-thiazole (PubChem CID 107918368) has the molecular formula C12H11Cl2NS and a molecular weight of 272.20 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-5-propan-2-yl-1,3-thiazole
PubChem CID107918368
Molecular FormulaC12H11Cl2NS
Molecular Weight272.20 g/mol
Exact Mass271.00
IUPAC Name2-(3,5-dichlorophenyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cnc(-c2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C12H11Cl2NS/c1-7(2)11-6-15-12(16-11)8-3-9(13)5-10(14)4-8/h3-7H,1-2H3
InChIKeyHXBKOQXXFRCRLC-UHFFFAOYSA-N
XLogP5.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.20
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(3,5-dichlorophenyl)-5-propan-2-yl-1,3-thiazole (CID 107918368) is 2-(3,5-dichlorophenyl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(3,5-dichlorophenyl)-5-propan-2-yl-1,3-thiazole is CC(C)c1cnc(-c2cc(Cl)cc(Cl)c2)s1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is HXBKOQXXFRCRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NS/c1-7(2)11-6-15-12(16-11)8-3-9(13)5-10(14)4-8/h3-7H,1-2H3.
What are the key properties of 2-(3,5-dichlorophenyl)-5-propan-2-yl-1,3-thiazole?
2-(3,5-dichlorophenyl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 272.20 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 107918368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).