6-methyl-1-(thietan-3-yl)indazole

C11H12N2S — CID 142573466

IUPAC6-methyl-1-(thietan-3-yl)indazole
SMILESCc1ccc2cnn(C3CSC3)c2c1
InChIInChI=1S/C11H12N2S/c1-8-2-3-9-5-12-13(11(9)4-8)10-6-14-7-10/h2-5,10H,6-7H2,1H3
InChIKeyWGHNCQYGLZTRJN-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.63
Rot. Bonds1

About 6-methyl-1-(thietan-3-yl)indazole

6-methyl-1-(thietan-3-yl)indazole (PubChem CID 142573466) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 6-methyl-1-(thietan-3-yl)indazole.

Molecular Properties

Compound Name6-methyl-1-(thietan-3-yl)indazole
PubChem CID142573466
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name6-methyl-1-(thietan-3-yl)indazole
SMILESCc1ccc2cnn(C3CSC3)c2c1
InChIInChI=1S/C11H12N2S/c1-8-2-3-9-5-12-13(11(9)4-8)10-6-14-7-10/h2-5,10H,6-7H2,1H3
InChIKeyWGHNCQYGLZTRJN-UHFFFAOYSA-N
XLogP2.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylazetidin-3-yl)indazol-6-ol
CID 170394619
1-piperidin-4-ylindazol-6-amine
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2-[2-(6-methylindazol-1-yl)ethylamino]ethanol
CID 129023158
cyclopropyl-[4-(5-methylindazol-1-yl)piperidin-1-yl]methanone
CID 142607961
4,5-dimethyl-1,4-benzoxazin-3-one;ethane;6-methyl-1-(1-methylpiperidin-4-yl)indazole
CID 144655363
1-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indazole;dihydrochloride
CID 18796586
2-(chloromethyl)-6-methyl-1-(thiolan-3-yl)benzimidazole
CID 103063842
N-[3-(6-methylindazol-1-yl)propyl]-5-oxo-1,4-thiazepane-3-carboxamide
CID 102552029
1-(oxan-3-yl)-6-propan-2-ylindazole
CID 153308080
1-(3-methoxypropyl)-6-methylindazole
CID 66596206
1-(3-bromo-2-methylpropyl)-6-methylindazole
CID 118871699

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(thietan-3-yl)indazole?
The IUPAC name of 6-methyl-1-(thietan-3-yl)indazole (CID 142573466) is 6-methyl-1-(thietan-3-yl)indazole.
What is the SMILES notation for 6-methyl-1-(thietan-3-yl)indazole?
The canonical SMILES for 6-methyl-1-(thietan-3-yl)indazole is Cc1ccc2cnn(C3CSC3)c2c1.
What is the InChIKey of 6-methyl-1-(thietan-3-yl)indazole?
The InChIKey is WGHNCQYGLZTRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-8-2-3-9-5-12-13(11(9)4-8)10-6-14-7-10/h2-5,10H,6-7H2,1H3.
What are the key properties of 6-methyl-1-(thietan-3-yl)indazole?
6-methyl-1-(thietan-3-yl)indazole has a molecular weight of 204.30 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(thietan-3-yl)indazole is sourced from PubChem (CID 142573466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).