1-methyl-3-thiophen-2-ylindazole

C12H10N2S — CID 57338749

IUPAC1-methyl-3-thiophen-2-ylindazole
SMILESCn1nc(-c2cccs2)c2ccccc21
InChIInChI=1S/C12H10N2S/c1-14-10-6-3-2-5-9(10)12(13-14)11-7-4-8-15-11/h2-8H,1H3
InChIKeyZMCDRDOVUDRBFD-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.30
Rot. Bonds1

About 1-methyl-3-thiophen-2-ylindazole

1-methyl-3-thiophen-2-ylindazole (PubChem CID 57338749) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-methyl-3-thiophen-2-ylindazole.

Molecular Properties

Compound Name1-methyl-3-thiophen-2-ylindazole
PubChem CID57338749
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name1-methyl-3-thiophen-2-ylindazole
SMILESCn1nc(-c2cccs2)c2ccccc21
InChIInChI=1S/C12H10N2S/c1-14-10-6-3-2-5-9(10)12(13-14)11-7-4-8-15-11/h2-8H,1H3
InChIKeyZMCDRDOVUDRBFD-UHFFFAOYSA-N
XLogP3.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-thiophen-2-ylphthalazin-1-one
CID 17487388
5-(1-methylindazol-3-yl)thiophene-2-carbaldehyde
CID 177498837
4-(3-thiophen-2-ylindazol-1-yl)isoquinoline
CID 132609258
1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine
CID 4737047
3-iodo-5-(1-methylindazol-3-yl)-1,2,4-thiadiazole
CID 103130052
1,4-dimethyl-3-(1-methylindazol-3-yl)pyrazol-5-amine
CID 103118715
2-phenyl-4-thiophen-2-ylphthalazin-1-one
CID 4053882
1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol
CID 103128674
1-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]indazole-3-carboxamide
CID 91818160
1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indazole
CID 103119734
4-(4-bromophenyl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine
CID 43336416
1-methyl-2-thiophen-2-ylbenzimidazole
CID 931177

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-thiophen-2-ylindazole?
The IUPAC name of 1-methyl-3-thiophen-2-ylindazole (CID 57338749) is 1-methyl-3-thiophen-2-ylindazole.
What is the SMILES notation for 1-methyl-3-thiophen-2-ylindazole?
The canonical SMILES for 1-methyl-3-thiophen-2-ylindazole is Cn1nc(-c2cccs2)c2ccccc21.
What is the InChIKey of 1-methyl-3-thiophen-2-ylindazole?
The InChIKey is ZMCDRDOVUDRBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c1-14-10-6-3-2-5-9(10)12(13-14)11-7-4-8-15-11/h2-8H,1H3.
What are the key properties of 1-methyl-3-thiophen-2-ylindazole?
1-methyl-3-thiophen-2-ylindazole has a molecular weight of 214.29 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-thiophen-2-ylindazole is sourced from PubChem (CID 57338749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).