[2-[3-(2-chlorophenoxy)propyl]-1,3-thiazol-4-yl]methanol

C13H14ClNO2S — CID 82154477

IUPAC[2-[3-(2-chlorophenoxy)propyl]-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(CCCOc2ccccc2Cl)n1
InChIInChI=1S/C13H14ClNO2S/c14-11-4-1-2-5-12(11)17-7-3-6-13-15-10(8-16)9-18-13/h1-2,4-5,9,16H,3,6-8H2
InChIKeyKETZUEMOSXWORZ-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.30
Rot. Bonds6

About [2-[3-(2-chlorophenoxy)propyl]-1,3-thiazol-4-yl]methanol

[2-[3-(2-chlorophenoxy)propyl]-1,3-thiazol-4-yl]methanol (PubChem CID 82154477) has the molecular formula C13H14ClNO2S and a molecular weight of 283.78 g/mol. Its IUPAC name is [2-[3-(2-chlorophenoxy)propyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[3-(2-chlorophenoxy)propyl]-1,3-thiazol-4-yl]methanol
PubChem CID82154477
Molecular FormulaC13H14ClNO2S
Molecular Weight283.78 g/mol
Exact Mass283.04
IUPAC Name[2-[3-(2-chlorophenoxy)propyl]-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(CCCOc2ccccc2Cl)n1
InChIInChI=1S/C13H14ClNO2S/c14-11-4-1-2-5-12(11)17-7-3-6-13-15-10(8-16)9-18-13/h1-2,4-5,9,16H,3,6-8H2
InChIKeyKETZUEMOSXWORZ-UHFFFAOYSA-N
XLogP3.30
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol
CID 94279929
[2-[3-(2,6-dimethylphenoxy)propyl]-1,3-thiazol-4-yl]methanol
CID 82154469
4-(chloromethyl)-2-(3-naphthalen-1-yloxypropyl)-1,3-thiazole
CID 43138117
4-(chloromethyl)-2-[3-(2,4-dichlorophenoxy)propyl]-1,3-thiazole
CID 43320175
4-(chloromethyl)-2-[3-(2,3-difluorophenoxy)propyl]-1,3-thiazole
CID 63038533
[2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-4-yl]methanol
CID 82154533
4-(chloromethyl)-2-[4-(2-chloro-5-methylphenoxy)butyl]-1,3-thiazole
CID 63548837
4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole
CID 43138224
4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole
CID 63269485
4-(chloromethyl)-2-[3-(2,5-dimethylphenoxy)propyl]-1,3-thiazole
CID 43138105
[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82104670
2-(2-aminoethyl)-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120618974

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-chlorophenoxy)propyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[3-(2-chlorophenoxy)propyl]-1,3-thiazol-4-yl]methanol (CID 82154477) is [2-[3-(2-chlorophenoxy)propyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[3-(2-chlorophenoxy)propyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[3-(2-chlorophenoxy)propyl]-1,3-thiazol-4-yl]methanol is OCc1csc(CCCOc2ccccc2Cl)n1.
What is the InChIKey of [2-[3-(2-chlorophenoxy)propyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is KETZUEMOSXWORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S/c14-11-4-1-2-5-12(11)17-7-3-6-13-15-10(8-16)9-18-13/h1-2,4-5,9,16H,3,6-8H2.
What are the key properties of [2-[3-(2-chlorophenoxy)propyl]-1,3-thiazol-4-yl]methanol?
[2-[3-(2-chlorophenoxy)propyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 283.78 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-chlorophenoxy)propyl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 82154477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).