(4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

C15H16N2OS — CID 61091919

IUPAC(4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1sc(C(=O)N2c3ccccc3CC2C)cc1N
InChIInChI=1S/C15H16N2OS/c1-9-7-11-5-3-4-6-13(11)17(9)15(18)14-8-12(16)10(2)19-14/h3-6,8-9H,7,16H2,1-2H3
InChIKeyMTFVDEORKZVLJC-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.23
Rot. Bonds1

About (4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

(4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 61091919) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is (4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID61091919
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name(4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1sc(C(=O)N2c3ccccc3CC2C)cc1N
InChIInChI=1S/C15H16N2OS/c1-9-7-11-5-3-4-6-13(11)17(9)15(18)14-8-12(16)10(2)19-14/h3-6,8-9H,7,16H2,1-2H3
InChIKeyMTFVDEORKZVLJC-UHFFFAOYSA-N
XLogP3.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 110863850
(4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62678879
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone
CID 110863849
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 42905966
[5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 53124466
[5-(benzenesulfonyl)thiophen-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 95091593
(5-amino-2-fluoro-3-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 103295777
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62278189
(2,5-dimethylfuran-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 24655561
(4-amino-5-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777825

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 61091919) is (4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is Cc1sc(C(=O)N2c3ccccc3CC2C)cc1N.
What is the InChIKey of (4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is MTFVDEORKZVLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-9-7-11-5-3-4-6-13(11)17(9)15(18)14-8-12(16)10(2)19-14/h3-6,8-9H,7,16H2,1-2H3.
What are the key properties of (4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
(4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 272.37 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 61091919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).