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

C19H27Cl2N3OS2 — CID 119857438

IUPAC3-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]propanamide;dihydrochloride
SMILESCSc1ccc(C(CNC(=O)CCN)N2CCc3sccc3C2)cc1.Cl.Cl
InChIInChI=1S/C19H25N3OS2.2ClH/c1-24-16-4-2-14(3-5-16)17(12-21-19(23)6-9-20)22-10-7-18-15(13-22)8-11-25-18;;/h2-5,8,11,17H,6-7,9-10,12-13,20H2,1H3,(H,21,23);2*1H
InChIKeyGFGLRULSYWKMBJ-UHFFFAOYSA-N
MW448.49 g/mol
LogP3.88
Rot. Bonds7

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

3-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]propanamide;dihydrochloride (PubChem CID 119857438) has the molecular formula C19H27Cl2N3OS2 and a molecular weight of 448.49 g/mol. Its IUPAC name is 3-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]propanamide;dihydrochloride
PubChem CID119857438
Molecular FormulaC19H27Cl2N3OS2
Molecular Weight448.49 g/mol
Exact Mass447.10
IUPAC Name3-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]propanamide;dihydrochloride
SMILESCSc1ccc(C(CNC(=O)CCN)N2CCc3sccc3C2)cc1.Cl.Cl
InChIInChI=1S/C19H25N3OS2.2ClH/c1-24-16-4-2-14(3-5-16)17(12-21-19(23)6-9-20)22-10-7-18-15(13-22)8-11-25-18;;/h2-5,8,11,17H,6-7,9-10,12-13,20H2,1H3,(H,21,23);2*1H
InChIKeyGFGLRULSYWKMBJ-UHFFFAOYSA-N
XLogP3.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 51948863
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide;dihydrochloride
CID 119857430
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-2-thiophen-3-ylacetamide
CID 112827085
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]acetamide
CID 119853305
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703809
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]-2-(methylamino)acetamide
CID 120703810
N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 60616315
N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyridine-4-carboxamide
CID 55713707
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]-1,1-diethylguanidine;hydroiodide
CID 111069071
(2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide;dihydrochloride
CID 119849419
3-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119853286
N-[2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 112826543

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]propanamide;dihydrochloride (CID 119857438) is 3-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]propanamide;dihydrochloride is CSc1ccc(C(CNC(=O)CCN)N2CCc3sccc3C2)cc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]propanamide;dihydrochloride?
The InChIKey is GFGLRULSYWKMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS2.2ClH/c1-24-16-4-2-14(3-5-16)17(12-21-19(23)6-9-20)22-10-7-18-15(13-22)8-11-25-18;;/h2-5,8,11,17H,6-7,9-10,12-13,20H2,1H3,(H,21,23);2*1H.
What are the key properties of 3-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]propanamide;dihydrochloride?
3-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]propanamide;dihydrochloride has a molecular weight of 448.49 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylsulfanylphenyl)ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 119857438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).