4-amino-N-methyl-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide

C15H16N2OS — CID 43174781

IUPAC4-amino-N-methyl-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
SMILESCNC(=O)c1c(N)sc2c1-c1ccccc1CCC2
InChIInChI=1S/C15H16N2OS/c1-17-15(18)13-12-10-7-3-2-5-9(10)6-4-8-11(12)19-14(13)16/h2-3,5,7H,4,6,8,16H2,1H3,(H,17,18)
InChIKeyAXYOBNINQAJEPG-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.85
Rot. Bonds1

About 4-amino-N-methyl-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide

4-amino-N-methyl-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide (PubChem CID 43174781) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-amino-N-methyl-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
PubChem CID43174781
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name4-amino-N-methyl-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
SMILESCNC(=O)c1c(N)sc2c1-c1ccccc1CCC2
InChIInChI=1S/C15H16N2OS/c1-17-15(18)13-12-10-7-3-2-5-9(10)6-4-8-11(12)19-14(13)16/h2-3,5,7H,4,6,8,16H2,1H3,(H,17,18)
InChIKeyAXYOBNINQAJEPG-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

Analyze 4-amino-N-methyl-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-amino-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-3-yl)ethanone
CID 65354731
2-amino-N-cyclopropyl-4,5-dihydrobenzo[e][1]benzothiole-1-carboxamide
CID 43367263
2-amino-4H-indeno[2,1-b]thiophene-1-carbohydrazide;ethane
CID 145125122
2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide
CID 114830937
N-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 1490444
2-amino-N,N-dimethyl-4H-thieno[2,3-c]chromene-1-carboxamide
CID 43367285
N-methyl-2-(3-phenylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7195556
N-methyl-2-[(2-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 745132
2-amino-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43367164
5-thia-3-azoniatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-amine iodide
CID 135881787
N-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)propanamide
CID 71602626
ethyl 5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-4-carboxylate
CID 61385445

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide (CID 43174781) is 4-amino-N-methyl-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide is CNC(=O)c1c(N)sc2c1-c1ccccc1CCC2.
What is the InChIKey of 4-amino-N-methyl-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide?
The InChIKey is AXYOBNINQAJEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-17-15(18)13-12-10-7-3-2-5-9(10)6-4-8-11(12)19-14(13)16/h2-3,5,7H,4,6,8,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-methyl-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide?
4-amino-N-methyl-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide is sourced from PubChem (CID 43174781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).