4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methyl-1,2-oxazol-3-yl)-4-oxobutanamide

C15H17N3O3S — CID 136516596

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methyl-1,2-oxazol-3-yl)-4-oxobutanamide
SMILESCc1conc1NC(=O)CCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C15H17N3O3S/c1-10-9-21-17-15(10)16-13(19)2-3-14(20)18-6-4-12-11(8-18)5-7-22-12/h5,7,9H,2-4,6,8H2,1H3,(H,16,17,19)
InChIKeyOIWFEIFAHMYCAH-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.35
Rot. Bonds4

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methyl-1,2-oxazol-3-yl)-4-oxobutanamide

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methyl-1,2-oxazol-3-yl)-4-oxobutanamide (PubChem CID 136516596) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methyl-1,2-oxazol-3-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methyl-1,2-oxazol-3-yl)-4-oxobutanamide
PubChem CID136516596
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methyl-1,2-oxazol-3-yl)-4-oxobutanamide
SMILESCc1conc1NC(=O)CCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C15H17N3O3S/c1-10-9-21-17-15(10)16-13(19)2-3-14(20)18-6-4-12-11(8-18)5-7-22-12/h5,7,9H,2-4,6,8H2,1H3,(H,16,17,19)
InChIKeyOIWFEIFAHMYCAH-UHFFFAOYSA-N
XLogP2.35
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-methylphenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 55876098
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-oxobutanamide
CID 56544988
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(4-phenylphenyl)butanamide
CID 52694536
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 55883129
N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 119384096
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-oxobutanamide
CID 55872768
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-4-oxobutanamide
CID 110002435
N-(1-amino-4-methylpentan-2-yl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride
CID 119587386
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-oxobutanamide
CID 52694457
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 55872850
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-oxobutanamide
CID 55895134
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 55872616

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methyl-1,2-oxazol-3-yl)-4-oxobutanamide?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methyl-1,2-oxazol-3-yl)-4-oxobutanamide (CID 136516596) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methyl-1,2-oxazol-3-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methyl-1,2-oxazol-3-yl)-4-oxobutanamide?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methyl-1,2-oxazol-3-yl)-4-oxobutanamide is Cc1conc1NC(=O)CCC(=O)N1CCc2sccc2C1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methyl-1,2-oxazol-3-yl)-4-oxobutanamide?
The InChIKey is OIWFEIFAHMYCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10-9-21-17-15(10)16-13(19)2-3-14(20)18-6-4-12-11(8-18)5-7-22-12/h5,7,9H,2-4,6,8H2,1H3,(H,16,17,19).
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methyl-1,2-oxazol-3-yl)-4-oxobutanamide?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methyl-1,2-oxazol-3-yl)-4-oxobutanamide has a molecular weight of 319.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methyl-1,2-oxazol-3-yl)-4-oxobutanamide is sourced from PubChem (CID 136516596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).