2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiolan-2-yl)ethanol

C11H17NOS2 — CID 105106780

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiolan-2-yl)ethanol
SMILESCc1nc(CC(O)C2(C)CCCS2)cs1
InChIInChI=1S/C11H17NOS2/c1-8-12-9(7-14-8)6-10(13)11(2)4-3-5-15-11/h7,10,13H,3-6H2,1-2H3
InChIKeyMXSISQXJYZGWNA-UHFFFAOYSA-N
MW243.40 g/mol
LogP2.64
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiolan-2-yl)ethanol

2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiolan-2-yl)ethanol (PubChem CID 105106780) has the molecular formula C11H17NOS2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiolan-2-yl)ethanol
PubChem CID105106780
Molecular FormulaC11H17NOS2
Molecular Weight243.40 g/mol
Exact Mass243.08
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiolan-2-yl)ethanol
SMILESCc1nc(CC(O)C2(C)CCCS2)cs1
InChIInChI=1S/C11H17NOS2/c1-8-12-9(7-14-8)6-10(13)11(2)4-3-5-15-11/h7,10,13H,3-6H2,1-2H3
InChIKeyMXSISQXJYZGWNA-UHFFFAOYSA-N
XLogP2.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(dimethylamino)cyclopentyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 79068032
2-amino-1-(2-methylthiolan-2-yl)ethanol
CID 115012704
[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methanol
CID 66024342
1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62799671
2-(1-ethylbenzimidazol-2-yl)-1-(2-methylthiolan-2-yl)ethanol
CID 105111704
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-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 103559485
1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79080656
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79060778
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024019
1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutane-1-carbaldehyde
CID 130712451

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiolan-2-yl)ethanol?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiolan-2-yl)ethanol (CID 105106780) is 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiolan-2-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiolan-2-yl)ethanol?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiolan-2-yl)ethanol is Cc1nc(CC(O)C2(C)CCCS2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiolan-2-yl)ethanol?
The InChIKey is MXSISQXJYZGWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS2/c1-8-12-9(7-14-8)6-10(13)11(2)4-3-5-15-11/h7,10,13H,3-6H2,1-2H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiolan-2-yl)ethanol?
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiolan-2-yl)ethanol has a molecular weight of 243.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiolan-2-yl)ethanol is sourced from PubChem (CID 105106780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).