5-amino-N-(2,3-dihydro-1H-inden-2-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide

C21H20N4OS — CID 134207730

IUPAC5-amino-N-(2,3-dihydro-1H-inden-2-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
SMILESCc1cn2c(cc(C)c3c(N)c(C(=O)NC4Cc5ccccc5C4)sc32)n1
InChIInChI=1S/C21H20N4OS/c1-11-7-16-23-12(2)10-25(16)21-17(11)18(22)19(27-21)20(26)24-15-8-13-5-3-4-6-14(13)9-15/h3-7,10,15H,8-9,22H2,1-2H3,(H,24,26)
InChIKeyQXMQOGZXBQTXFS-UHFFFAOYSA-N
MW376.49 g/mol
LogP3.65
Rot. Bonds2

About 5-amino-N-(2,3-dihydro-1H-inden-2-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide

5-amino-N-(2,3-dihydro-1H-inden-2-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide (PubChem CID 134207730) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 5-amino-N-(2,3-dihydro-1H-inden-2-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dihydro-1H-inden-2-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
PubChem CID134207730
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name5-amino-N-(2,3-dihydro-1H-inden-2-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
SMILESCc1cn2c(cc(C)c3c(N)c(C(=O)NC4Cc5ccccc5C4)sc32)n1
InChIInChI=1S/C21H20N4OS/c1-11-7-16-23-12(2)10-25(16)21-17(11)18(22)19(27-21)20(26)24-15-8-13-5-3-4-6-14(13)9-15/h3-7,10,15H,8-9,22H2,1-2H3,(H,24,26)
InChIKeyQXMQOGZXBQTXFS-UHFFFAOYSA-N
XLogP3.65
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-N-(2,3-dihydro-1H-inden-2-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide with MolForge

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Related Compounds

4-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-methylthiophene-2-carboxamide
CID 107843269
3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 865531
(5-amino-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-4-yl)-(2,3-dihydro-1H-inden-2-ylamino)methanol
CID 134223767
3-amino-4,6-dimethyl-N-(thiolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 103065140
2-amino-N-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-4-carboxamide
CID 107842728
5-amino-7-methyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxylic acid
CID 134207718
3-amino-N-cyclopropyl-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 4778662
7-amino-3-methyl-N-[(2S)-6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 137489689
7-amino-N-[(2S)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 146364680
2-(ethylamino)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-5-carboxamide
CID 90648353
2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 77091883
4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide
CID 107843308

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dihydro-1H-inden-2-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide?
The IUPAC name of 5-amino-N-(2,3-dihydro-1H-inden-2-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide (CID 134207730) is 5-amino-N-(2,3-dihydro-1H-inden-2-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,3-dihydro-1H-inden-2-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,3-dihydro-1H-inden-2-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide is Cc1cn2c(cc(C)c3c(N)c(C(=O)NC4Cc5ccccc5C4)sc32)n1.
What is the InChIKey of 5-amino-N-(2,3-dihydro-1H-inden-2-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide?
The InChIKey is QXMQOGZXBQTXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-11-7-16-23-12(2)10-25(16)21-17(11)18(22)19(27-21)20(26)24-15-8-13-5-3-4-6-14(13)9-15/h3-7,10,15H,8-9,22H2,1-2H3,(H,24,26).
What are the key properties of 5-amino-N-(2,3-dihydro-1H-inden-2-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide?
5-amino-N-(2,3-dihydro-1H-inden-2-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide has a molecular weight of 376.49 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dihydro-1H-inden-2-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide is sourced from PubChem (CID 134207730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).