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

C11H19NOS — CID 62798257

IUPAC4-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol
SMILESCCC(C)CC(O)Cc1csc(C)n1
InChIInChI=1S/C11H19NOS/c1-4-8(2)5-11(13)6-10-7-14-9(3)12-10/h7-8,11,13H,4-6H2,1-3H3
InChIKeyVDWWFTACGCBEEY-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.79
Rot. Bonds5

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

4-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol (PubChem CID 62798257) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol.

Molecular Properties

Compound Name4-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol
PubChem CID62798257
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name4-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol
SMILESCCC(C)CC(O)Cc1csc(C)n1
InChIInChI=1S/C11H19NOS/c1-4-8(2)5-11(13)6-10-7-14-9(3)12-10/h7-8,11,13H,4-6H2,1-3H3
InChIKeyVDWWFTACGCBEEY-UHFFFAOYSA-N
XLogP2.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol
CID 62798439
5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol
CID 106677820
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptan-3-amine
CID 61281288
1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol
CID 62798798
1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62799671
5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol
CID 64565731
1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 94607240
1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 61285786
1-(1-methylpyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 82869603
1-(5-bromothiophen-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106635
[3-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-yl]hydrazine
CID 105214739

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol?
The IUPAC name of 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol (CID 62798257) is 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol.
What is the SMILES notation for 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol?
The canonical SMILES for 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol is CCC(C)CC(O)Cc1csc(C)n1.
What is the InChIKey of 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol?
The InChIKey is VDWWFTACGCBEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-4-8(2)5-11(13)6-10-7-14-9(3)12-10/h7-8,11,13H,4-6H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol?
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol has a molecular weight of 213.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol is sourced from PubChem (CID 62798257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).