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

C13H15NO2S — CID 115089431

IUPAC1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCOc1cccc(-c2nc(CC(C)O)cs2)c1
InChIInChI=1S/C13H15NO2S/c1-9(15)6-11-8-17-13(14-11)10-4-3-5-12(7-10)16-2/h3-5,7-9,15H,6H2,1-2H3
InChIKeySJRSWIAPOXJNMG-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.74
Rot. Bonds4

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

1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol (PubChem CID 115089431) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
PubChem CID115089431
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCOc1cccc(-c2nc(CC(C)O)cs2)c1
InChIInChI=1S/C13H15NO2S/c1-9(15)6-11-8-17-13(14-11)10-4-3-5-12(7-10)16-2/h3-5,7-9,15H,6H2,1-2H3
InChIKeySJRSWIAPOXJNMG-UHFFFAOYSA-N
XLogP2.74
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
CID 146521628
1-(2-phenyl-1,3-thiazol-4-yl)propan-2-ol
CID 115089425
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342
(2S)-2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid
CID 29131429
2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole
CID 52772137
(2S,3R)-2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 29131151
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate
CID 71904980
2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 29132130
3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)propanamide
CID 110333218
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate
CID 7789627
4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 38132380
2-[2-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987846

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol?
The IUPAC name of 1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol (CID 115089431) is 1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol?
The canonical SMILES for 1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol is COc1cccc(-c2nc(CC(C)O)cs2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol?
The InChIKey is SJRSWIAPOXJNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-9(15)6-11-8-17-13(14-11)10-4-3-5-12(7-10)16-2/h3-5,7-9,15H,6H2,1-2H3.
What are the key properties of 1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol?
1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol has a molecular weight of 249.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol is sourced from PubChem (CID 115089431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).