2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-N-(1H-pyrrol-3-ylmethyl)ethanamine

C20H23N3S — CID 119155799

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESc1ccc(C(CNCc2cc[nH]c2)N2CCc3sccc3C2)cc1
InChIInChI=1S/C20H23N3S/c1-2-4-17(5-3-1)19(14-22-13-16-6-9-21-12-16)23-10-7-20-18(15-23)8-11-24-20/h1-6,8-9,11-12,19,21-22H,7,10,13-15H2
InChIKeyFZNVCSXZSCMRLS-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.97
Rot. Bonds6

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-N-(1H-pyrrol-3-ylmethyl)ethanamine

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-N-(1H-pyrrol-3-ylmethyl)ethanamine (PubChem CID 119155799) has the molecular formula C20H23N3S and a molecular weight of 337.49 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-N-(1H-pyrrol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-N-(1H-pyrrol-3-ylmethyl)ethanamine
PubChem CID119155799
Molecular FormulaC20H23N3S
Molecular Weight337.49 g/mol
Exact Mass337.16
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESc1ccc(C(CNCc2cc[nH]c2)N2CCc3sccc3C2)cc1
InChIInChI=1S/C20H23N3S/c1-2-4-17(5-3-1)19(14-22-13-16-6-9-21-12-16)23-10-7-20-18(15-23)8-11-24-20/h1-6,8-9,11-12,19,21-22H,7,10,13-15H2
InChIKeyFZNVCSXZSCMRLS-UHFFFAOYSA-N
XLogP3.97
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-phenylbut-3-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 132530725
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]acetamide
CID 119853305
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2,3-dimethylguanidine
CID 47092705
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110925611
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-methyl-3-propan-2-ylguanidine
CID 111125925
4-acetyl-N-[(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1H-pyrrole-2-carboxamide
CID 51948476
3-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]benzene-1,3-dicarboxamide
CID 51950048
2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 126769820
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111743069
3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1-(2-hydroxyethyl)-1-(thiophen-3-ylmethyl)urea
CID 86874163
3-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119853286
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110940037

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-N-(1H-pyrrol-3-ylmethyl)ethanamine (CID 119155799) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-N-(1H-pyrrol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-N-(1H-pyrrol-3-ylmethyl)ethanamine is c1ccc(C(CNCc2cc[nH]c2)N2CCc3sccc3C2)cc1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The InChIKey is FZNVCSXZSCMRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3S/c1-2-4-17(5-3-1)19(14-22-13-16-6-9-21-12-16)23-10-7-20-18(15-23)8-11-24-20/h1-6,8-9,11-12,19,21-22H,7,10,13-15H2.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-N-(1H-pyrrol-3-ylmethyl)ethanamine has a molecular weight of 337.49 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-N-(1H-pyrrol-3-ylmethyl)ethanamine is sourced from PubChem (CID 119155799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).