3-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]propan-1-ol

C11H17NO2S — CID 115036296

IUPAC3-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]propan-1-ol
SMILESCc1sc(CCCO)nc1C1CCCO1
InChIInChI=1S/C11H17NO2S/c1-8-11(9-4-3-7-14-9)12-10(15-8)5-2-6-13/h9,13H,2-7H2,1H3
InChIKeyZAPUFFIUJMKMPJ-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.23
Rot. Bonds4

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

3-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]propan-1-ol (PubChem CID 115036296) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]propan-1-ol
PubChem CID115036296
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name3-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]propan-1-ol
SMILESCc1sc(CCCO)nc1C1CCCO1
InChIInChI=1S/C11H17NO2S/c1-8-11(9-4-3-7-14-9)12-10(15-8)5-2-6-13/h9,13H,2-7H2,1H3
InChIKeyZAPUFFIUJMKMPJ-UHFFFAOYSA-N
XLogP2.23
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid
CID 115036116
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 56744091
5-bromo-2-chloro-6-[(2R)-oxolan-2-yl]-4-[(2S)-oxolan-2-yl]pyrimidine
CID 134854426
[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]methanol
CID 115021751
6-methyl-2-(oxolan-2-yl)pyridin-3-ol
CID 68852704
4-(oxolan-2-yl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 115028003
(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)methanamine
CID 105464505
2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 65331290
2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole
CID 58853375
[4-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 115046099
3-[4-(oxan-3-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 115036298
6-(2-hydroxyethyl)-5-methyl-2-(oxolan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271719

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]propan-1-ol?
The IUPAC name of 3-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]propan-1-ol (CID 115036296) is 3-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]propan-1-ol is Cc1sc(CCCO)nc1C1CCCO1.
What is the InChIKey of 3-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]propan-1-ol?
The InChIKey is ZAPUFFIUJMKMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8-11(9-4-3-7-14-9)12-10(15-8)5-2-6-13/h9,13H,2-7H2,1H3.
What are the key properties of 3-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]propan-1-ol?
3-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]propan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]propan-1-ol is sourced from PubChem (CID 115036296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).