2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol

C12H19NO2S — CID 115090950

IUPAC2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol
SMILESCC(CO)c1cnc(CC2CCCCO2)s1
InChIInChI=1S/C12H19NO2S/c1-9(8-14)11-7-13-12(16-11)6-10-4-2-3-5-15-10/h7,9-10,14H,2-6,8H2,1H3
InChIKeyVGTFUTFSQBVNJI-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.35
Rot. Bonds4

About 2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol

2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol (PubChem CID 115090950) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol
PubChem CID115090950
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol
SMILESCC(CO)c1cnc(CC2CCCCO2)s1
InChIInChI=1S/C12H19NO2S/c1-9(8-14)11-7-13-12(16-11)6-10-4-2-3-5-15-10/h7,9-10,14H,2-6,8H2,1H3
InChIKeyVGTFUTFSQBVNJI-UHFFFAOYSA-N
XLogP2.35
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-ol
CID 115089925
2-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115090233
2-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115090223
N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 115090839
2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]propan-1-ol
CID 115083248
3-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propanoic acid
CID 115091042
1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090785
1-[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62753865
N-methyl-3-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090865
N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62754771
2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-1-ol
CID 115090387
[(2S)-oxan-2-yl]methanol
CID 6950811

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol?
The IUPAC name of 2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol (CID 115090950) is 2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol.
What is the SMILES notation for 2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol?
The canonical SMILES for 2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol is CC(CO)c1cnc(CC2CCCCO2)s1.
What is the InChIKey of 2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol?
The InChIKey is VGTFUTFSQBVNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-9(8-14)11-7-13-12(16-11)6-10-4-2-3-5-15-10/h7,9-10,14H,2-6,8H2,1H3.
What are the key properties of 2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol?
2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 115090950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).