5-[2-[(cyclopropylamino)methyl]prop-2-enyl]thieno[3,2-c]pyridin-4-one

C14H16N2OS — CID 103072901

IUPAC5-[2-[(cyclopropylamino)methyl]prop-2-enyl]thieno[3,2-c]pyridin-4-one
SMILESC=C(CNC1CC1)Cn1ccc2sccc2c1=O
InChIInChI=1S/C14H16N2OS/c1-10(8-15-11-2-3-11)9-16-6-4-13-12(14(16)17)5-7-18-13/h4-7,11,15H,1-3,8-9H2
InChIKeyALFGVJGTNAEHFQ-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.37
Rot. Bonds5

About 5-[2-[(cyclopropylamino)methyl]prop-2-enyl]thieno[3,2-c]pyridin-4-one

5-[2-[(cyclopropylamino)methyl]prop-2-enyl]thieno[3,2-c]pyridin-4-one (PubChem CID 103072901) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-[2-[(cyclopropylamino)methyl]prop-2-enyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[2-[(cyclopropylamino)methyl]prop-2-enyl]thieno[3,2-c]pyridin-4-one
PubChem CID103072901
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name5-[2-[(cyclopropylamino)methyl]prop-2-enyl]thieno[3,2-c]pyridin-4-one
SMILESC=C(CNC1CC1)Cn1ccc2sccc2c1=O
InChIInChI=1S/C14H16N2OS/c1-10(8-15-11-2-3-11)9-16-6-4-13-12(14(16)17)5-7-18-13/h4-7,11,15H,1-3,8-9H2
InChIKeyALFGVJGTNAEHFQ-UHFFFAOYSA-N
XLogP2.37
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396035
N-cyclohexyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396089
5-[2-(cycloheptylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912101
N-(oxan-4-yl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 75500278
5-(2-cyclohexyl-2-oxoethyl)thieno[3,2-c]pyridin-4-one
CID 103985823
5-[3-(cyclohexylamino)propyl]thieno[3,2-c]pyridin-4-one
CID 115912118
2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115886517
5-ethylthieno[3,2-c]pyridin-4-one
CID 115886528
5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912100
N-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115912011
3-(4-oxothieno[3,2-c]pyridin-5-yl)propanoic acid
CID 112556961
5-but-2-ynylthieno[3,2-c]pyridin-4-one
CID 115886548

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(cyclopropylamino)methyl]prop-2-enyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[2-[(cyclopropylamino)methyl]prop-2-enyl]thieno[3,2-c]pyridin-4-one (CID 103072901) is 5-[2-[(cyclopropylamino)methyl]prop-2-enyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[2-[(cyclopropylamino)methyl]prop-2-enyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[2-[(cyclopropylamino)methyl]prop-2-enyl]thieno[3,2-c]pyridin-4-one is C=C(CNC1CC1)Cn1ccc2sccc2c1=O.
What is the InChIKey of 5-[2-[(cyclopropylamino)methyl]prop-2-enyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is ALFGVJGTNAEHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10(8-15-11-2-3-11)9-16-6-4-13-12(14(16)17)5-7-18-13/h4-7,11,15H,1-3,8-9H2.
What are the key properties of 5-[2-[(cyclopropylamino)methyl]prop-2-enyl]thieno[3,2-c]pyridin-4-one?
5-[2-[(cyclopropylamino)methyl]prop-2-enyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 260.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(cyclopropylamino)methyl]prop-2-enyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 103072901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).