2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-prop-2-ynylamino]acetic acid

C14H16N2O3S — CID 79284689

IUPAC2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)N1CCc2sccc2C1C
InChIInChI=1S/C14H16N2O3S/c1-3-6-15(9-13(17)18)14(19)16-7-4-12-11(10(16)2)5-8-20-12/h1,5,8,10H,4,6-7,9H2,2H3,(H,17,18)
InChIKeyOYLHHFJHXUCUGU-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.81
Rot. Bonds3

About 2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-prop-2-ynylamino]acetic acid

2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-prop-2-ynylamino]acetic acid (PubChem CID 79284689) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-prop-2-ynylamino]acetic acid
PubChem CID79284689
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)N1CCc2sccc2C1C
InChIInChI=1S/C14H16N2O3S/c1-3-6-15(9-13(17)18)14(19)16-7-4-12-11(10(16)2)5-8-20-12/h1,5,8,10H,4,6-7,9H2,2H3,(H,17,18)
InChIKeyOYLHHFJHXUCUGU-UHFFFAOYSA-N
XLogP1.81
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-prop-2-ynylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 116655108
2,2-dimethyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropanoic acid
CID 82820623
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 6929698
2,2-difluoro-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 103604023
5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)thiophene-2-carboxylic acid
CID 60722425
N-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47121151
2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-prop-2-ynylacetamide
CID 9000758
2-[prop-2-ynyl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetic acid
CID 79284180
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
CID 8948806
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-propan-2-ylphenyl)methanone
CID 8948835
5-chloro-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one
CID 54916161
N-(2-chloroacetyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 55010144

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-prop-2-ynylamino]acetic acid (CID 79284689) is 2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-prop-2-ynylamino]acetic acid is C#CCN(CC(=O)O)C(=O)N1CCc2sccc2C1C.
What is the InChIKey of 2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-prop-2-ynylamino]acetic acid?
The InChIKey is OYLHHFJHXUCUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-6-15(9-13(17)18)14(19)16-7-4-12-11(10(16)2)5-8-20-12/h1,5,8,10H,4,6-7,9H2,2H3,(H,17,18).
What are the key properties of 2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-prop-2-ynylamino]acetic acid?
2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-prop-2-ynylamino]acetic acid has a molecular weight of 292.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 79284689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).