3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol

C14H17NO2S — CID 157454552

IUPAC3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol
SMILESCCc1cnc(-c2ccc(OCCCO)cc2)s1
InChIInChI=1S/C14H17NO2S/c1-2-13-10-15-14(18-13)11-4-6-12(7-5-11)17-9-3-8-16/h4-7,10,16H,2-3,8-9H2,1H3
InChIKeyOJGCFGPMISVHBR-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.13
Rot. Bonds6

About 3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol

3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol (PubChem CID 157454552) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol
PubChem CID157454552
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol
SMILESCCc1cnc(-c2ccc(OCCCO)cc2)s1
InChIInChI=1S/C14H17NO2S/c1-2-13-10-15-14(18-13)11-4-6-12(7-5-11)17-9-3-8-16/h4-7,10,16H,2-3,8-9H2,1H3
InChIKeyOJGCFGPMISVHBR-UHFFFAOYSA-N
XLogP3.13
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.13
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

N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62495260
4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid
CID 62651340
2-[4-[(E)-hex-4-enoxy]phenyl]-5-propyl-1,3-thiazole
CID 23432183
5-ethyl-2-pyridin-4-yl-1,3-thiazole
CID 59113493
6-[4-(5-ethylpyrimidin-2-yl)phenoxy]hexan-1-ol
CID 86159674
2-[2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82424267
3-[4-[5-(aminomethyl)-1,3-thiazol-2-yl]phenoxy]-N-methyl-N-propan-2-ylpropan-1-amine;hydrochloride
CID 135323664
N-[[2-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191242
4-[4-[5-[(chloroamino)methyl]-1,3-thiazol-2-yl]phenoxy]butan-1-amine
CID 126719860
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
[2-[4-[3-(azetidin-1-yl)propoxy]phenyl]-1,3-thiazol-5-yl]methanamine
CID 126719606
N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61282527

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol?
The IUPAC name of 3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol (CID 157454552) is 3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol.
What is the SMILES notation for 3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol?
The canonical SMILES for 3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol is CCc1cnc(-c2ccc(OCCCO)cc2)s1.
What is the InChIKey of 3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol?
The InChIKey is OJGCFGPMISVHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-2-13-10-15-14(18-13)11-4-6-12(7-5-11)17-9-3-8-16/h4-7,10,16H,2-3,8-9H2,1H3.
What are the key properties of 3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol?
3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol has a molecular weight of 263.36 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol is sourced from PubChem (CID 157454552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).