3-(2-methylthietan-2-yl)-2H-indazole

C11H12N2S — CID 163633668

IUPAC3-(2-methylthietan-2-yl)-2H-indazole
SMILESCC1(c2[nH]nc3ccccc23)CCS1
InChIInChI=1S/C11H12N2S/c1-11(6-7-14-11)10-8-4-2-3-5-9(8)12-13-10/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyHYGCFISIZHENIU-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.91
Rot. Bonds1

About 3-(2-methylthietan-2-yl)-2H-indazole

3-(2-methylthietan-2-yl)-2H-indazole (PubChem CID 163633668) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 3-(2-methylthietan-2-yl)-2H-indazole.

Molecular Properties

Compound Name3-(2-methylthietan-2-yl)-2H-indazole
PubChem CID163633668
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name3-(2-methylthietan-2-yl)-2H-indazole
SMILESCC1(c2[nH]nc3ccccc23)CCS1
InChIInChI=1S/C11H12N2S/c1-11(6-7-14-11)10-8-4-2-3-5-9(8)12-13-10/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyHYGCFISIZHENIU-UHFFFAOYSA-N
XLogP2.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methylcyclononyl)-2H-indazole
CID 173176803
3-(1-adamantyl)-2H-indazole
CID 118536032
[1-(2H-indazol-3-yl)cyclopentyl]methanamine
CID 82613671
2,2-bis(2H-indazol-3-yl)spiro[2.2]pentane-1-carbonitrile
CID 175911527
2H-indazol-3-yl(methyl)tin
CID 141081800
ethane;3-propan-2-yl-2H-indazole
CID 167622577
1-(2H-indazol-3-yl)ethanol
CID 119095207
3-ethyl-2H-indazole;molecular hydrogen
CID 156727025
[(1R,3R)-3-(2H-indazol-3-yl)-2,2-dimethylcyclopropyl]methanamine
CID 178197172
2H-indazol-3-ylmethyl acetate
CID 142092593
tert-butyl formate;3-fluoro-2H-indazole
CID 158237907
3-[2-(3-methyl-1,2-dihydroimidazol-4-yl)ethynyl]-2H-indazole
CID 143801548

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylthietan-2-yl)-2H-indazole?
The IUPAC name of 3-(2-methylthietan-2-yl)-2H-indazole (CID 163633668) is 3-(2-methylthietan-2-yl)-2H-indazole.
What is the SMILES notation for 3-(2-methylthietan-2-yl)-2H-indazole?
The canonical SMILES for 3-(2-methylthietan-2-yl)-2H-indazole is CC1(c2[nH]nc3ccccc23)CCS1.
What is the InChIKey of 3-(2-methylthietan-2-yl)-2H-indazole?
The InChIKey is HYGCFISIZHENIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-11(6-7-14-11)10-8-4-2-3-5-9(8)12-13-10/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of 3-(2-methylthietan-2-yl)-2H-indazole?
3-(2-methylthietan-2-yl)-2H-indazole has a molecular weight of 204.30 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylthietan-2-yl)-2H-indazole is sourced from PubChem (CID 163633668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).