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

C13H23NOS — CID 138574738

IUPAC2-[2-(3-methylhexan-3-yl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCCCC(C)(CC)c1ncc(C(C)(C)O)s1
InChIInChI=1S/C13H23NOS/c1-6-8-13(5,7-2)11-14-9-10(16-11)12(3,4)15/h9,15H,6-8H2,1-5H3
InChIKeyNMHIGCQXKJXAMX-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.84
Rot. Bonds5

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

2-[2-(3-methylhexan-3-yl)-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 138574738) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 2-[2-(3-methylhexan-3-yl)-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(3-methylhexan-3-yl)-1,3-thiazol-5-yl]propan-2-ol
PubChem CID138574738
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name2-[2-(3-methylhexan-3-yl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCCCC(C)(CC)c1ncc(C(C)(C)O)s1
InChIInChI=1S/C13H23NOS/c1-6-8-13(5,7-2)11-14-9-10(16-11)12(3,4)15/h9,15H,6-8H2,1-5H3
InChIKeyNMHIGCQXKJXAMX-UHFFFAOYSA-N
XLogP3.84
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(diethylamino)-1,3-thiazol-5-yl]propan-2-ol
CID 82425197
[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]carbamic acid
CID 151016388
1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 106782230
4-(3-methylhexan-3-yl)-1,3-thiazole
CID 90363109
3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
CID 106782217
2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82424687
2-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-2-ol
CID 82422673
5-methyl-2-(3-methylhexan-3-yl)pyridine
CID 170075857
4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
CID 106784457
2-[2-[2-(4-ethoxyphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82424103
2,5-bis(2-iodopropan-2-yl)-1,3-thiazole
CID 126604102
2-[2-(azepan-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82425139

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylhexan-3-yl)-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-(3-methylhexan-3-yl)-1,3-thiazol-5-yl]propan-2-ol (CID 138574738) is 2-[2-(3-methylhexan-3-yl)-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(3-methylhexan-3-yl)-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-(3-methylhexan-3-yl)-1,3-thiazol-5-yl]propan-2-ol is CCCC(C)(CC)c1ncc(C(C)(C)O)s1.
What is the InChIKey of 2-[2-(3-methylhexan-3-yl)-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is NMHIGCQXKJXAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-6-8-13(5,7-2)11-14-9-10(16-11)12(3,4)15/h9,15H,6-8H2,1-5H3.
What are the key properties of 2-[2-(3-methylhexan-3-yl)-1,3-thiazol-5-yl]propan-2-ol?
2-[2-(3-methylhexan-3-yl)-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 241.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylhexan-3-yl)-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 138574738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).