1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol

C14H14N2OS — CID 103128674

IUPAC1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol
SMILESCn1nc(C(O)Cc2cccs2)c2ccccc21
InChIInChI=1S/C14H14N2OS/c1-16-12-7-3-2-6-11(12)14(15-16)13(17)9-10-5-4-8-18-10/h2-8,13,17H,9H2,1H3
InChIKeyLGERAIKFQNCQAI-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.91
Rot. Bonds3

About 1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol

1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol (PubChem CID 103128674) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol
PubChem CID103128674
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol
SMILESCn1nc(C(O)Cc2cccs2)c2ccccc21
InChIInChI=1S/C14H14N2OS/c1-16-12-7-3-2-6-11(12)14(15-16)13(17)9-10-5-4-8-18-10/h2-8,13,17H,9H2,1H3
InChIKeyLGERAIKFQNCQAI-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-methylindazol-3-yl)-3-thiophen-2-ylpropyl]hydrazine
CID 103129680
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylindazol-3-yl)ethanol
CID 103129093
1-(1-methylindazol-3-yl)heptan-1-ol
CID 103128650
3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol
CID 103128712
1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol
CID 103129050
2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol
CID 103129098
(1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol
CID 103129342
2-(5-bromo-2-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol
CID 103128662
1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylethanol
CID 127004646
1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanol
CID 83091790
1-(1-methylindazol-3-yl)prop-2-yn-1-ol
CID 130172582
2-amino-2-(1-methylindazol-3-yl)ethanol
CID 82604101

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol?
The IUPAC name of 1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol (CID 103128674) is 1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol is Cn1nc(C(O)Cc2cccs2)c2ccccc21.
What is the InChIKey of 1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol?
The InChIKey is LGERAIKFQNCQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-16-12-7-3-2-6-11(12)14(15-16)13(17)9-10-5-4-8-18-10/h2-8,13,17H,9H2,1H3.
What are the key properties of 1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol?
1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol has a molecular weight of 258.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol is sourced from PubChem (CID 103128674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).