1-(2,5-dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol

C11H15N3OS — CID 107045985

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCc1cc(C(O)Cc2cn(C)nn2)c(C)s1
InChIInChI=1S/C11H15N3OS/c1-7-4-10(8(2)16-7)11(15)5-9-6-14(3)13-12-9/h4,6,11,15H,5H2,1-3H3
InChIKeyUEMPCYYXUOVFBD-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.77
Rot. Bonds3

About 1-(2,5-dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol

1-(2,5-dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107045985) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107045985
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCc1cc(C(O)Cc2cn(C)nn2)c(C)s1
InChIInChI=1S/C11H15N3OS/c1-7-4-10(8(2)16-7)11(15)5-9-6-14(3)13-12-9/h4,6,11,15H,5H2,1-3H3
InChIKeyUEMPCYYXUOVFBD-UHFFFAOYSA-N
XLogP1.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046515
1-(2,5-dimethylthiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045984
1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065654
1-(2-bromo-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107985909
1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332858
1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045954
1-(2,5-dimethylthiophen-3-yl)-3-methylbutan-1-ol
CID 61088727
1-(5-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045816
1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065610
2-(1-methyltriazol-4-yl)-1-(1,3-thiazol-4-yl)ethanol
CID 107046422
1-(3-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046440
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol (CID 107045985) is 1-(2,5-dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol is Cc1cc(C(O)Cc2cn(C)nn2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is UEMPCYYXUOVFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-7-4-10(8(2)16-7)11(15)5-9-6-14(3)13-12-9/h4,6,11,15H,5H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol?
1-(2,5-dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol has a molecular weight of 237.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107045985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).