1-[5-methyl-4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanol

C11H17NO2S — CID 116867651

IUPAC1-[5-methyl-4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanol
SMILESCc1sc(C(C)O)nc1C1CCOCC1
InChIInChI=1S/C11H17NO2S/c1-7(13)11-12-10(8(2)15-11)9-3-5-14-6-4-9/h7,9,13H,3-6H2,1-2H3
InChIKeyRHKXSRZRQRGAAX-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.40
Rot. Bonds2

About 1-[5-methyl-4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanol

1-[5-methyl-4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanol (PubChem CID 116867651) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-[5-methyl-4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-methyl-4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanol
PubChem CID116867651
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name1-[5-methyl-4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanol
SMILESCc1sc(C(C)O)nc1C1CCOCC1
InChIInChI=1S/C11H17NO2S/c1-7(13)11-12-10(8(2)15-11)9-3-5-14-6-4-9/h7,9,13H,3-6H2,1-2H3
InChIKeyRHKXSRZRQRGAAX-UHFFFAOYSA-N
XLogP2.40
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]methanol
CID 115021751
1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanone
CID 130503595
1-(5-methyl-4-propyl-1,3-thiazol-2-yl)ethanol
CID 116867604
4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid
CID 105440602
1-[4-methyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 63707531
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxan-4-yl)methyl]propan-2-amine
CID 62385435
[4-(cyclohexylmethyl)-5-methyl-1,3-thiazol-2-yl]-(oxan-4-ylamino)methanol
CID 123338666
4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazol-2-amine
CID 103768449
2-methyl-3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 116884844
3-methyl-2-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]butanenitrile
CID 116887341
5-(difluoromethyl)-2-methylsulfinyl-7-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine
CID 139355911
1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol
CID 115082429

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 1-[5-methyl-4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanol (CID 116867651) is 1-[5-methyl-4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-methyl-4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 1-[5-methyl-4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanol is Cc1sc(C(C)O)nc1C1CCOCC1.
What is the InChIKey of 1-[5-methyl-4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is RHKXSRZRQRGAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-7(13)11-12-10(8(2)15-11)9-3-5-14-6-4-9/h7,9,13H,3-6H2,1-2H3.
What are the key properties of 1-[5-methyl-4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanol?
1-[5-methyl-4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 227.33 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 116867651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).