2,4-dimethyl-3-(1,2-thiazol-3-yl)pentan-3-ol

C10H17NOS — CID 131071308

IUPAC2,4-dimethyl-3-(1,2-thiazol-3-yl)pentan-3-ol
SMILESCC(C)C(O)(c1ccsn1)C(C)C
InChIInChI=1S/C10H17NOS/c1-7(2)10(12,8(3)4)9-5-6-13-11-9/h5-8,12H,1-4H3
InChIKeyXEBASRFHHOZWEC-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.64
Rot. Bonds3

About 2,4-dimethyl-3-(1,2-thiazol-3-yl)pentan-3-ol

2,4-dimethyl-3-(1,2-thiazol-3-yl)pentan-3-ol (PubChem CID 131071308) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 2,4-dimethyl-3-(1,2-thiazol-3-yl)pentan-3-ol.

Molecular Properties

Compound Name2,4-dimethyl-3-(1,2-thiazol-3-yl)pentan-3-ol
PubChem CID131071308
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name2,4-dimethyl-3-(1,2-thiazol-3-yl)pentan-3-ol
SMILESCC(C)C(O)(c1ccsn1)C(C)C
InChIInChI=1S/C10H17NOS/c1-7(2)10(12,8(3)4)9-5-6-13-11-9/h5-8,12H,1-4H3
InChIKeyXEBASRFHHOZWEC-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(1,2-Thiazol-3-yl)propan-2-ol
CID 119097575
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3-Methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 126985702
(2,2,3,3-Tetramethylcyclopropyl)-(1,2-thiazol-3-yl)methanol
CID 126985705
2,2,3,3-Tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 126985711
1-Cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol
CID 126985747
3-(1,2-Thiazol-3-yl)thiolan-3-ol
CID 126985770
Cyclopropyl(1,2-thiazol-3-yl)methanol
CID 127002567
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CID 127002572

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(1,2-thiazol-3-yl)pentan-3-ol?
The IUPAC name of 2,4-dimethyl-3-(1,2-thiazol-3-yl)pentan-3-ol (CID 131071308) is 2,4-dimethyl-3-(1,2-thiazol-3-yl)pentan-3-ol.
What is the SMILES notation for 2,4-dimethyl-3-(1,2-thiazol-3-yl)pentan-3-ol?
The canonical SMILES for 2,4-dimethyl-3-(1,2-thiazol-3-yl)pentan-3-ol is CC(C)C(O)(c1ccsn1)C(C)C.
What is the InChIKey of 2,4-dimethyl-3-(1,2-thiazol-3-yl)pentan-3-ol?
The InChIKey is XEBASRFHHOZWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-7(2)10(12,8(3)4)9-5-6-13-11-9/h5-8,12H,1-4H3.
What are the key properties of 2,4-dimethyl-3-(1,2-thiazol-3-yl)pentan-3-ol?
2,4-dimethyl-3-(1,2-thiazol-3-yl)pentan-3-ol has a molecular weight of 199.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(1,2-thiazol-3-yl)pentan-3-ol is sourced from PubChem (CID 131071308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).