1-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol

C10H17NOS2 — CID 65141390

IUPAC1-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol
SMILESCCC(C)SCc1ncc(C(C)O)s1
InChIInChI=1S/C10H17NOS2/c1-4-7(2)13-6-10-11-5-9(14-10)8(3)12/h5,7-8,12H,4,6H2,1-3H3
InChIKeyOGXHYMRAPSIUDC-UHFFFAOYSA-N
MW231.39 g/mol
LogP3.23
Rot. Bonds5

About 1-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol

1-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 65141390) has the molecular formula C10H17NOS2 and a molecular weight of 231.39 g/mol. Its IUPAC name is 1-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol
PubChem CID65141390
Molecular FormulaC10H17NOS2
Molecular Weight231.39 g/mol
Exact Mass231.08
IUPAC Name1-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol
SMILESCCC(C)SCc1ncc(C(C)O)s1
InChIInChI=1S/C10H17NOS2/c1-4-7(2)13-6-10-11-5-9(14-10)8(3)12/h5,7-8,12H,4,6H2,1-3H3
InChIKeyOGXHYMRAPSIUDC-UHFFFAOYSA-N
XLogP3.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol (CID 65141390) is 1-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol is CCC(C)SCc1ncc(C(C)O)s1.
What is the InChIKey of 1-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is OGXHYMRAPSIUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS2/c1-4-7(2)13-6-10-11-5-9(14-10)8(3)12/h5,7-8,12H,4,6H2,1-3H3.
What are the key properties of 1-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol?
1-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 231.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 65141390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).