5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanimidamide

C13H21N3S — CID 55010853

IUPAC5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanimidamide
SMILES[H]/N=C(\N)CCCCN1CCc2sccc2C1C
InChIInChI=1S/C13H21N3S/c1-10-11-6-9-17-12(11)5-8-16(10)7-3-2-4-13(14)15/h6,9-10H,2-5,7-8H2,1H3,(H3,14,15)
InChIKeyXXKPFLHXOCXSBN-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.77
Rot. Bonds5

About 5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanimidamide

5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanimidamide (PubChem CID 55010853) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanimidamide.

Molecular Properties

Compound Name5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanimidamide
PubChem CID55010853
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanimidamide
SMILES[H]/N=C(\N)CCCCN1CCc2sccc2C1C
InChIInChI=1S/C13H21N3S/c1-10-11-6-9-17-12(11)5-8-16(10)7-3-2-4-13(14)15/h6,9-10H,2-5,7-8H2,1H3,(H3,14,15)
InChIKeyXXKPFLHXOCXSBN-UHFFFAOYSA-N
XLogP2.77
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanehydrazide
CID 63585229
2-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]aniline
CID 107274405
5-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarboximidamide
CID 63290975
4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 42884410
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile
CID 60699782
1-(2-bromophenyl)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 62630719
2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
CID 55079205
methyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate
CID 54939954
2,2-dimethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanenitrile
CID 65251827
N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide
CID 102555946
3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-methylphenyl)propan-1-amine
CID 62618249
2-[2-ethoxy-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]acetamide
CID 51500695

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanimidamide?
The IUPAC name of 5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanimidamide (CID 55010853) is 5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanimidamide.
What is the SMILES notation for 5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanimidamide?
The canonical SMILES for 5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanimidamide is [H]/N=C(\N)CCCCN1CCc2sccc2C1C.
What is the InChIKey of 5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanimidamide?
The InChIKey is XXKPFLHXOCXSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-10-11-6-9-17-12(11)5-8-16(10)7-3-2-4-13(14)15/h6,9-10H,2-5,7-8H2,1H3,(H3,14,15).
What are the key properties of 5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanimidamide?
5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanimidamide has a molecular weight of 251.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanimidamide is sourced from PubChem (CID 55010853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).