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

C11H17NO2S — CID 116969550

IUPAC[3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanol
SMILESCCCc1csc(CC2(CO)COC2)n1
InChIInChI=1S/C11H17NO2S/c1-2-3-9-5-15-10(12-9)4-11(6-13)7-14-8-11/h5,13H,2-4,6-8H2,1H3
InChIKeyPWXJPAICWNAPTK-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.65
Rot. Bonds5

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

[3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanol (PubChem CID 116969550) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is [3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanol
PubChem CID116969550
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name[3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanol
SMILESCCCc1csc(CC2(CO)COC2)n1
InChIInChI=1S/C11H17NO2S/c1-2-3-9-5-15-10(12-9)4-11(6-13)7-14-8-11/h5,13H,2-4,6-8H2,1H3
InChIKeyPWXJPAICWNAPTK-UHFFFAOYSA-N
XLogP1.65
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetane-3-carboxylic acid
CID 116969533
[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanol
CID 116969329
2-pentyl-4-propyl-1,3-thiazole
CID 55271530
[3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methanol
CID 66058593
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
2-octyl-4-propyl-1,3-thiazole
CID 86124626
1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine
CID 62652679
1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]-N-methylmethanamine
CID 116969393
(4-pentyl-1,3-thiazol-2-yl)methanamine
CID 69371976
1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclobutyl]-N-methylmethanamine
CID 116969458
(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167
2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole
CID 116782769

Frequently Asked Questions

What is the IUPAC name of [3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanol (CID 116969550) is [3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanol is CCCc1csc(CC2(CO)COC2)n1.
What is the InChIKey of [3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanol?
The InChIKey is PWXJPAICWNAPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-2-3-9-5-15-10(12-9)4-11(6-13)7-14-8-11/h5,13H,2-4,6-8H2,1H3.
What are the key properties of [3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanol?
[3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanol has a molecular weight of 227.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116969550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).