2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol

C12H12ClNOS — CID 112645258

IUPAC2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol
SMILESOCC(Cc1cncs1)c1cccc(Cl)c1
InChIInChI=1S/C12H12ClNOS/c13-11-3-1-2-9(4-11)10(7-15)5-12-6-14-8-16-12/h1-4,6,8,10,15H,5,7H2
InChIKeyRZAUXQZZCXNOGH-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.12
Rot. Bonds4

About 2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol

2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol (PubChem CID 112645258) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol
PubChem CID112645258
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol
SMILESOCC(Cc1cncs1)c1cccc(Cl)c1
InChIInChI=1S/C12H12ClNOS/c13-11-3-1-2-9(4-11)10(7-15)5-12-6-14-8-16-12/h1-4,6,8,10,15H,5,7H2
InChIKeyRZAUXQZZCXNOGH-UHFFFAOYSA-N
XLogP3.12
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644220
1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642744
(1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81366485
5-[2-(3-bromophenyl)-3-chloropropyl]-1,3-thiazole
CID 112645361
3-(5-bromo-2-pyridinyl)-2-(3-chlorophenyl)propan-1-ol
CID 113456079
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
1-(2,6-dichlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642505
1-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642220
1-(2,4-dichlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642484
N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine
CID 115979461
3-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 79443459
2-(3-chlorophenyl)-3-(3,4-dimethylphenyl)propan-1-ol
CID 79443229

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol?
The IUPAC name of 2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol (CID 112645258) is 2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol is OCC(Cc1cncs1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol?
The InChIKey is RZAUXQZZCXNOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c13-11-3-1-2-9(4-11)10(7-15)5-12-6-14-8-16-12/h1-4,6,8,10,15H,5,7H2.
What are the key properties of 2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol?
2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol has a molecular weight of 253.75 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 112645258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).