3-methyl-1-phenyl-4,5-dihydrothieno[2,3-g]indazole

C16H14N2S — CID 146311466

IUPAC3-methyl-1-phenyl-4,5-dihydrothieno[2,3-g]indazole
SMILESCc1nn(-c2ccccc2)c2c1CCc1sccc1-2
InChIInChI=1S/C16H14N2S/c1-11-13-7-8-15-14(9-10-19-15)16(13)18(17-11)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyCNTWAVVBSYVAQF-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.01
Rot. Bonds1

About 3-methyl-1-phenyl-4,5-dihydrothieno[2,3-g]indazole

3-methyl-1-phenyl-4,5-dihydrothieno[2,3-g]indazole (PubChem CID 146311466) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-methyl-1-phenyl-4,5-dihydrothieno[2,3-g]indazole.

Molecular Properties

Compound Name3-methyl-1-phenyl-4,5-dihydrothieno[2,3-g]indazole
PubChem CID146311466
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name3-methyl-1-phenyl-4,5-dihydrothieno[2,3-g]indazole
SMILESCc1nn(-c2ccccc2)c2c1CCc1sccc1-2
InChIInChI=1S/C16H14N2S/c1-11-13-7-8-15-14(9-10-19-15)16(13)18(17-11)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyCNTWAVVBSYVAQF-UHFFFAOYSA-N
XLogP4.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(trifluoromethyl)-4,5-dihydrothieno[2,3-g]indazol-1-yl]benzenesulfonamide
CID 15485785
3-methyl-5-phenyl-8-thiophen-2-yl-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),3,7-tetraene
CID 53472904
[1-(2,6-dichlorophenyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 146302982
1,3-diphenyl-4H-chromeno[3,4-d]pyrazole
CID 12698522
5-methyl-7-phenyl-3,4-dihydrooxathiino[5,6-d]pyrazole 2,2-dioxide
CID 155511849
5-methyl-1,3-diphenyl-4,5-dihydrobenzo[g]indazole
CID 12713181
12-ethyl-5,13-dithia-10,11,15-triazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),2(6),3,11,14-pentaene
CID 107646330
3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanamide
CID 69363165
8-(methylamino)-1-phenyl-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 142828818
3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one
CID 136705112
5-[2,6-di(propan-2-yl)phenyl]-3,4-dimethyl-1-phenylpyrazole
CID 153435552
4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium
CID 176877441

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-4,5-dihydrothieno[2,3-g]indazole?
The IUPAC name of 3-methyl-1-phenyl-4,5-dihydrothieno[2,3-g]indazole (CID 146311466) is 3-methyl-1-phenyl-4,5-dihydrothieno[2,3-g]indazole.
What is the SMILES notation for 3-methyl-1-phenyl-4,5-dihydrothieno[2,3-g]indazole?
The canonical SMILES for 3-methyl-1-phenyl-4,5-dihydrothieno[2,3-g]indazole is Cc1nn(-c2ccccc2)c2c1CCc1sccc1-2.
What is the InChIKey of 3-methyl-1-phenyl-4,5-dihydrothieno[2,3-g]indazole?
The InChIKey is CNTWAVVBSYVAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-11-13-7-8-15-14(9-10-19-15)16(13)18(17-11)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 3-methyl-1-phenyl-4,5-dihydrothieno[2,3-g]indazole?
3-methyl-1-phenyl-4,5-dihydrothieno[2,3-g]indazole has a molecular weight of 266.37 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-4,5-dihydrothieno[2,3-g]indazole is sourced from PubChem (CID 146311466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).