2-(3-methylthiophen-2-yl)-1-(1-methyltriazol-4-yl)propan-2-ol

C11H15N3OS — CID 107046034

IUPAC2-(3-methylthiophen-2-yl)-1-(1-methyltriazol-4-yl)propan-2-ol
SMILESCc1ccsc1C(C)(O)Cc1cn(C)nn1
InChIInChI=1S/C11H15N3OS/c1-8-4-5-16-10(8)11(2,15)6-9-7-14(3)13-12-9/h4-5,7,15H,6H2,1-3H3
InChIKeyILJNYNPUKQHANL-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.64
Rot. Bonds3

About 2-(3-methylthiophen-2-yl)-1-(1-methyltriazol-4-yl)propan-2-ol

2-(3-methylthiophen-2-yl)-1-(1-methyltriazol-4-yl)propan-2-ol (PubChem CID 107046034) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-1-(1-methyltriazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-1-(1-methyltriazol-4-yl)propan-2-ol
PubChem CID107046034
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-(3-methylthiophen-2-yl)-1-(1-methyltriazol-4-yl)propan-2-ol
SMILESCc1ccsc1C(C)(O)Cc1cn(C)nn1
InChIInChI=1S/C11H15N3OS/c1-8-4-5-16-10(8)11(2,15)6-9-7-14(3)13-12-9/h4-5,7,15H,6H2,1-3H3
InChIKeyILJNYNPUKQHANL-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[5-(trifluoromethyl)thiophen-3-yl]piperidin-4-ol
CID 168826812
(2S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[5-(trifluoromethyl)thiophen-3-yl]piperidin-4-ol
CID 168912718
1-(5-Fluoro-1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065606
1-(6-Fluoro-1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065642
1-[1-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]triazol-4-yl]-2-thiophen-2-ylpropan-2-ol
CID 154782174
2-Methyl-1-[1-[[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]propan-2-ol
CID 167894553
1-[1-[(1S)-1-(4-fluorophenyl)propyl]triazol-4-yl]-2-thiophen-2-ylpropan-2-ol
CID 167898065
(2S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol
CID 169856095
(2S,4S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol
CID 170108070
1-(1-Methylpyrazol-3-yl)-2-(3-methylthiophen-2-yl)propan-2-ol
CID 82868993
1-(1-Methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol
CID 103130169
1-(3-Propyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105127149

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-1-(1-methyltriazol-4-yl)propan-2-ol?
The IUPAC name of 2-(3-methylthiophen-2-yl)-1-(1-methyltriazol-4-yl)propan-2-ol (CID 107046034) is 2-(3-methylthiophen-2-yl)-1-(1-methyltriazol-4-yl)propan-2-ol.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-1-(1-methyltriazol-4-yl)propan-2-ol?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-1-(1-methyltriazol-4-yl)propan-2-ol is Cc1ccsc1C(C)(O)Cc1cn(C)nn1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-1-(1-methyltriazol-4-yl)propan-2-ol?
The InChIKey is ILJNYNPUKQHANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-8-4-5-16-10(8)11(2,15)6-9-7-14(3)13-12-9/h4-5,7,15H,6H2,1-3H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-1-(1-methyltriazol-4-yl)propan-2-ol?
2-(3-methylthiophen-2-yl)-1-(1-methyltriazol-4-yl)propan-2-ol has a molecular weight of 237.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-1-(1-methyltriazol-4-yl)propan-2-ol is sourced from PubChem (CID 107046034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).