2-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-ol

C10H17NOS — CID 116865464

IUPAC2-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-ol
SMILESCC(C)c1csc(C(C)(C)CO)n1
InChIInChI=1S/C10H17NOS/c1-7(2)8-5-13-9(11-8)10(3,4)6-12/h5,7,12H,6H2,1-4H3
InChIKeyKOOLMKMVGLFHDJ-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.54
Rot. Bonds3

About 2-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-ol

2-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-ol (PubChem CID 116865464) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-ol
PubChem CID116865464
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name2-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-ol
SMILESCC(C)c1csc(C(C)(C)CO)n1
InChIInChI=1S/C10H17NOS/c1-7(2)8-5-13-9(11-8)10(3,4)6-12/h5,7,12H,6H2,1-4H3
InChIKeyKOOLMKMVGLFHDJ-UHFFFAOYSA-N
XLogP2.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-ol?
The IUPAC name of 2-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-ol (CID 116865464) is 2-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for 2-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-ol is CC(C)c1csc(C(C)(C)CO)n1.
What is the InChIKey of 2-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is KOOLMKMVGLFHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-7(2)8-5-13-9(11-8)10(3,4)6-12/h5,7,12H,6H2,1-4H3.
What are the key properties of 2-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-ol?
2-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 199.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-ol is sourced from PubChem (CID 116865464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).