(1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol

C14H14N2OS — CID 103129342

IUPAC(1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol
SMILESCc1sccc1C(O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H14N2OS/c1-9-10(7-8-18-9)14(17)13-11-5-3-4-6-12(11)16(2)15-13/h3-8,14,17H,1-2H3
InChIKeyXBGBCCRKBUQWKR-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.02
Rot. Bonds2

About (1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol

(1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol (PubChem CID 103129342) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is (1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol
PubChem CID103129342
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name(1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol
SMILESCc1sccc1C(O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H14N2OS/c1-9-10(7-8-18-9)14(17)13-11-5-3-4-6-12(11)16(2)15-13/h3-8,14,17H,1-2H3
InChIKeyXBGBCCRKBUQWKR-UHFFFAOYSA-N
XLogP3.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromothiophen-3-yl)-(1-methylindazol-3-yl)methanol
CID 103129037
(2-fluoro-5-methylphenyl)-(1-methylindazol-3-yl)methanol
CID 103128770
(4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol
CID 103128610
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylindazol-3-yl)ethanol
CID 103129093
1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol
CID 103128674
1-(1-methylindazol-3-yl)prop-2-yn-1-ol
CID 130172582
3-(difluoromethyl)-1-methylindazole
CID 153487584
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
2-amino-2-(1-methylindazol-3-yl)ethanol
CID 82604101
(5-ethoxy-3-pyridinyl)-(1-methylindazol-3-yl)methanol
CID 103129138
(2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol
CID 107357767
1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol
CID 103129050

Frequently Asked Questions

What is the IUPAC name of (1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol?
The IUPAC name of (1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol (CID 103129342) is (1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol.
What is the SMILES notation for (1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol?
The canonical SMILES for (1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol is Cc1sccc1C(O)c1nn(C)c2ccccc12.
What is the InChIKey of (1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol?
The InChIKey is XBGBCCRKBUQWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-9-10(7-8-18-9)14(17)13-11-5-3-4-6-12(11)16(2)15-13/h3-8,14,17H,1-2H3.
What are the key properties of (1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol?
(1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol has a molecular weight of 258.35 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol is sourced from PubChem (CID 103129342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).