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

C14H17NO2S — CID 94275533

IUPAC3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol
SMILESCCOc1cccc(-c2nc(CCCO)cs2)c1
InChIInChI=1S/C14H17NO2S/c1-2-17-13-7-3-5-11(9-13)14-15-12(10-18-14)6-4-8-16/h3,5,7,9-10,16H,2,4,6,8H2,1H3
InChIKeyZTMBNAAHKRWVNE-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.13
Rot. Bonds6

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

3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol (PubChem CID 94275533) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol
PubChem CID94275533
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol
SMILESCCOc1cccc(-c2nc(CCCO)cs2)c1
InChIInChI=1S/C14H17NO2S/c1-2-17-13-7-3-5-11(9-13)14-15-12(10-18-14)6-4-8-16/h3,5,7,9-10,16H,2,4,6,8H2,1H3
InChIKeyZTMBNAAHKRWVNE-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

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Related Compounds

4-(bromomethyl)-2-(3-ethoxyphenyl)-1,3-thiazole
CID 82516061
N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281646
[2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine
CID 55078974
2-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 94707671
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342
3-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]propan-1-ol
CID 116889140
[2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol
CID 10828361
3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 82124643
3-[2-(1,3-benzoxazol-6-yl)-1,3-thiazol-4-yl]propan-1-ol
CID 116889155
2-[2-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987846
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888129
2-(3-ethoxyphenyl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 46066487

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol?
The IUPAC name of 3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol (CID 94275533) is 3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol is CCOc1cccc(-c2nc(CCCO)cs2)c1.
What is the InChIKey of 3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol?
The InChIKey is ZTMBNAAHKRWVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-2-17-13-7-3-5-11(9-13)14-15-12(10-18-14)6-4-8-16/h3,5,7,9-10,16H,2,4,6,8H2,1H3.
What are the key properties of 3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol?
3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]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-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol is sourced from PubChem (CID 94275533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).