1-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-ol

C12H11Cl2NOS — CID 79824781

IUPAC1-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-ol
SMILESOC(Cc1nccs1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2NOS/c13-9-2-1-8(11(14)6-9)5-10(16)7-12-15-3-4-17-12/h1-4,6,10,16H,5,7H2
InChIKeyLIFQNPYQJRCXIC-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.60
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-ol

1-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-ol (PubChem CID 79824781) has the molecular formula C12H11Cl2NOS and a molecular weight of 288.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-ol
PubChem CID79824781
Molecular FormulaC12H11Cl2NOS
Molecular Weight288.20 g/mol
Exact Mass286.99
IUPAC Name1-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-ol
SMILESOC(Cc1nccs1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2NOS/c13-9-2-1-8(11(14)6-9)5-10(16)7-12-15-3-4-17-12/h1-4,6,10,16H,5,7H2
InChIKeyLIFQNPYQJRCXIC-UHFFFAOYSA-N
XLogP3.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824685
1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824912
1-(2,4-dichlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642484
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 60798841
1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
1-(2,4-dichlorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920805
2,5-dichloro-4-(1,3-thiazol-2-ylmethyl)phenol
CID 107663379
1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 115822545
1-[5-chloro-2-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine
CID 79824960

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-ol (CID 79824781) is 1-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-ol is OC(Cc1nccs1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is LIFQNPYQJRCXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NOS/c13-9-2-1-8(11(14)6-9)5-10(16)7-12-15-3-4-17-12/h1-4,6,10,16H,5,7H2.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-ol?
1-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 288.20 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 79824781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).