2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylindazol-3-yl)ethanol

C15H17N3OS — CID 103129093

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylindazol-3-yl)ethanol
SMILESCc1nc(CC(O)c2nn(C)c3ccccc23)sc1C
InChIInChI=1S/C15H17N3OS/c1-9-10(2)20-14(16-9)8-13(19)15-11-6-4-5-7-12(11)18(3)17-15/h4-7,13,19H,8H2,1-3H3
InChIKeyYHQKFRPKRNLZDW-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.92
Rot. Bonds3

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylindazol-3-yl)ethanol

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylindazol-3-yl)ethanol (PubChem CID 103129093) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylindazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylindazol-3-yl)ethanol
PubChem CID103129093
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylindazol-3-yl)ethanol
SMILESCc1nc(CC(O)c2nn(C)c3ccccc23)sc1C
InChIInChI=1S/C15H17N3OS/c1-9-10(2)20-14(16-9)8-13(19)15-11-6-4-5-7-12(11)18(3)17-15/h4-7,13,19H,8H2,1-3H3
InChIKeyYHQKFRPKRNLZDW-UHFFFAOYSA-N
XLogP2.92
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol
CID 103128674
(1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol
CID 103129342
1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol
CID 103129050
1-(1-methylindazol-3-yl)heptan-1-ol
CID 103128650
3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol
CID 103128712
2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol
CID 103129098
2-(5-bromo-2-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol
CID 103128662
1-(1-methylindazol-3-yl)prop-2-yn-1-ol
CID 130172582
2-amino-2-(1-methylindazol-3-yl)ethanol
CID 82604101
3-(difluoromethyl)-1-methylindazole
CID 153487584
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol
CID 104846232

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylindazol-3-yl)ethanol?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylindazol-3-yl)ethanol (CID 103129093) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylindazol-3-yl)ethanol.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylindazol-3-yl)ethanol?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylindazol-3-yl)ethanol is Cc1nc(CC(O)c2nn(C)c3ccccc23)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylindazol-3-yl)ethanol?
The InChIKey is YHQKFRPKRNLZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-9-10(2)20-14(16-9)8-13(19)15-11-6-4-5-7-12(11)18(3)17-15/h4-7,13,19H,8H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylindazol-3-yl)ethanol?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylindazol-3-yl)ethanol has a molecular weight of 287.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylindazol-3-yl)ethanol is sourced from PubChem (CID 103129093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).