2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propan-1-ol

C12H12ClNOS — CID 115089512

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propan-1-ol
SMILESCC(CO)c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C12H12ClNOS/c1-8(6-15)11-7-16-12(14-11)9-4-2-3-5-10(9)13/h2-5,7-8,15H,6H2,1H3
InChIKeyBEKIYMAXYWWUCQ-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.56
Rot. Bonds3

About 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propan-1-ol

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propan-1-ol (PubChem CID 115089512) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propan-1-ol
PubChem CID115089512
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propan-1-ol
SMILESCC(CO)c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C12H12ClNOS/c1-8(6-15)11-7-16-12(14-11)9-4-2-3-5-10(9)13/h2-5,7-8,15H,6H2,1H3
InChIKeyBEKIYMAXYWWUCQ-UHFFFAOYSA-N
XLogP3.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]propan-1-ol
CID 115089104
2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propan-1-ol
CID 115089100
N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60641063
2-amino-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527102
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]propan-1-ol
CID 115089095
1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol
CID 64545128
(1R)-1-(2-chlorophenyl)-N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 9306498
3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]propane-1,2-diol
CID 79682554
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 39084510
1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea
CID 110624857
2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanoic acid
CID 43237495
4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole
CID 113253756

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propan-1-ol?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propan-1-ol (CID 115089512) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propan-1-ol.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propan-1-ol?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propan-1-ol is CC(CO)c1csc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propan-1-ol?
The InChIKey is BEKIYMAXYWWUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c1-8(6-15)11-7-16-12(14-11)9-4-2-3-5-10(9)13/h2-5,7-8,15H,6H2,1H3.
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propan-1-ol?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propan-1-ol has a molecular weight of 253.75 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propan-1-ol is sourced from PubChem (CID 115089512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).