2,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)pentan-3-ol

C11H19NOS — CID 130688439

IUPAC2,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)pentan-3-ol
SMILESCc1cc(C(O)(C(C)C)C(C)C)sn1
InChIInChI=1S/C11H19NOS/c1-7(2)11(13,8(3)4)10-6-9(5)12-14-10/h6-8,13H,1-5H3
InChIKeyFRHFYCPTQRZCCA-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.95
Rot. Bonds3

About 2,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)pentan-3-ol

2,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)pentan-3-ol (PubChem CID 130688439) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)pentan-3-ol.

Molecular Properties

Compound Name2,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)pentan-3-ol
PubChem CID130688439
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)pentan-3-ol
SMILESCc1cc(C(O)(C(C)C)C(C)C)sn1
InChIInChI=1S/C11H19NOS/c1-7(2)11(13,8(3)4)10-6-9(5)12-14-10/h6-8,13H,1-5H3
InChIKeyFRHFYCPTQRZCCA-UHFFFAOYSA-N
XLogP2.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol
CID 165492038
(3-Propan-2-yl-1,2-thiazol-5-yl)methanol
CID 18759003
(3-t-Butyl-isothiazol-5-yl)methanol
CID 57736297
(5-Isopropyl-isothiazol-3-yl)-methanol
CID 68731053
1-Ethyl-4-(3-methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 69534542
1-Methyl-4-(3-methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 130646260
2-[3-(4-Methylcyclohexyl)-1,2-thiazol-5-yl]propan-2-ol
CID 132129486
3-Methoxy-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 126985729
1-Cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol
CID 126985747
3-Methyl-4-(3-methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 126985751
3-(3-Methyl-1,2-thiazol-5-yl)thiolan-3-ol
CID 126985769
1-(3-Methyl-1,2-thiazol-5-yl)cyclohexan-1-ol
CID 127002581

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)pentan-3-ol?
The IUPAC name of 2,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)pentan-3-ol (CID 130688439) is 2,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)pentan-3-ol.
What is the SMILES notation for 2,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)pentan-3-ol?
The canonical SMILES for 2,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)pentan-3-ol is Cc1cc(C(O)(C(C)C)C(C)C)sn1.
What is the InChIKey of 2,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)pentan-3-ol?
The InChIKey is FRHFYCPTQRZCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-7(2)11(13,8(3)4)10-6-9(5)12-14-10/h6-8,13H,1-5H3.
What are the key properties of 2,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)pentan-3-ol?
2,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)pentan-3-ol has a molecular weight of 213.35 g/mol, XLogP of 2.95, 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-(3-methyl-1,2-thiazol-5-yl)pentan-3-ol is sourced from PubChem (CID 130688439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).