3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide

C15H17N3OS — CID 43375509

IUPAC3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide
SMILESNC(=O)c1ccc(CN2CCc3sccc3C2)c(N)c1
InChIInChI=1S/C15H17N3OS/c16-13-7-10(15(17)19)1-2-11(13)8-18-5-3-14-12(9-18)4-6-20-14/h1-2,4,6-7H,3,5,8-9,16H2,(H2,17,19)
InChIKeyUBBNBOOGVGEMPU-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.99
Rot. Bonds3

About 3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide

3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide (PubChem CID 43375509) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide
PubChem CID43375509
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide
SMILESNC(=O)c1ccc(CN2CCc3sccc3C2)c(N)c1
InChIInChI=1S/C15H17N3OS/c16-13-7-10(15(17)19)1-2-11(13)8-18-5-3-14-12(9-18)4-6-20-14/h1-2,4,6-7H,3,5,8-9,16H2,(H2,17,19)
InChIKeyUBBNBOOGVGEMPU-UHFFFAOYSA-N
XLogP1.99
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.99
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

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzenecarbothioamide
CID 29273112
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-fluorobenzenecarbothioamide
CID 29296572
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluoroaniline
CID 64767664
3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide
CID 43375553
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-fluorophenyl]methanamine
CID 63288847
[3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methanamine
CID 102768916
2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 174310486
3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 43376136
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-fluorobenzenecarboximidamide
CID 63290667
2,6-dichloro-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)aniline
CID 82832751
3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 43375573
5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3042998

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide?
The IUPAC name of 3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide (CID 43375509) is 3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide?
The canonical SMILES for 3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide is NC(=O)c1ccc(CN2CCc3sccc3C2)c(N)c1.
What is the InChIKey of 3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide?
The InChIKey is UBBNBOOGVGEMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c16-13-7-10(15(17)19)1-2-11(13)8-18-5-3-14-12(9-18)4-6-20-14/h1-2,4,6-7H,3,5,8-9,16H2,(H2,17,19).
What are the key properties of 3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide?
3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide has a molecular weight of 287.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide is sourced from PubChem (CID 43375509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).