5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride

C18H25Cl2N3OS — CID 120643908

IUPAC5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)NCC(C)N1CCc2sccc2C1.Cl.Cl
InChIInChI=1S/C18H23N3OS.2ClH/c1-12-3-4-15(19)9-16(12)18(22)20-10-13(2)21-7-5-17-14(11-21)6-8-23-17;;/h3-4,6,8-9,13H,5,7,10-11,19H2,1-2H3,(H,20,22);2*1H
InChIKeyGNIHHYZNTIWYKK-UHFFFAOYSA-N
MW402.39 g/mol
LogP3.66
Rot. Bonds4

About 5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride

5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride (PubChem CID 120643908) has the molecular formula C18H25Cl2N3OS and a molecular weight of 402.39 g/mol. Its IUPAC name is 5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride.

Molecular Properties

Compound Name5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride
PubChem CID120643908
Molecular FormulaC18H25Cl2N3OS
Molecular Weight402.39 g/mol
Exact Mass401.11
IUPAC Name5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)NCC(C)N1CCc2sccc2C1.Cl.Cl
InChIInChI=1S/C18H23N3OS.2ClH/c1-12-3-4-15(19)9-16(12)18(22)20-10-13(2)21-7-5-17-14(11-21)6-8-23-17;;/h3-4,6,8-9,13H,5,7,10-11,19H2,1-2H3,(H,20,22);2*1H
InChIKeyGNIHHYZNTIWYKK-UHFFFAOYSA-N
XLogP3.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide
CID 119856322
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]naphthalene-1-carboxamide
CID 46449295
5-amino-2-methyl-N-(2-morpholin-4-ylpropyl)benzamide;dihydrochloride
CID 120642354
5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
CID 120645515
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 39182076
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
CID 139003731
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 46400297
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-5-ethylthiophene-2-carboxamide
CID 51729385
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methoxyacetamide
CID 94095217
ethyl 4-[N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate
CID 111164307
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide
CID 39185572
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(methylamino)butanamide
CID 119856324

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride?
The IUPAC name of 5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride (CID 120643908) is 5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride.
What is the SMILES notation for 5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride?
The canonical SMILES for 5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride is Cc1ccc(N)cc1C(=O)NCC(C)N1CCc2sccc2C1.Cl.Cl.
What is the InChIKey of 5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride?
The InChIKey is GNIHHYZNTIWYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS.2ClH/c1-12-3-4-15(19)9-16(12)18(22)20-10-13(2)21-7-5-17-14(11-21)6-8-23-17;;/h3-4,6,8-9,13H,5,7,10-11,19H2,1-2H3,(H,20,22);2*1H.
What are the key properties of 5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride?
5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride has a molecular weight of 402.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride is sourced from PubChem (CID 120643908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).