1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethanone

C15H19N3O2S — CID 106372552

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethanone
SMILESCc1nc(CNCC(=O)N2CCc3sccc3C2)oc1C
InChIInChI=1S/C15H19N3O2S/c1-10-11(2)20-14(17-10)7-16-8-15(19)18-5-3-13-12(9-18)4-6-21-13/h4,6,16H,3,5,7-9H2,1-2H3
InChIKeyCTUGYEFLKVQWFS-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.03
Rot. Bonds4

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethanone

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethanone (PubChem CID 106372552) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethanone
PubChem CID106372552
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethanone
SMILESCc1nc(CNCC(=O)N2CCc3sccc3C2)oc1C
InChIInChI=1S/C15H19N3O2S/c1-10-11(2)20-14(17-10)7-16-8-15(19)18-5-3-13-12(9-18)4-6-21-13/h4,6,16H,3,5,7-9H2,1-2H3
InChIKeyCTUGYEFLKVQWFS-UHFFFAOYSA-N
XLogP2.03
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanone
CID 61043493
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 109432442
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanone
CID 103851603
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiophen-3-ylmethylamino)ethanone
CID 63248082
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-pyrrolidin-1-ylethylamino)ethanone
CID 60711035
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methoxypropylamino)ethanone
CID 43388492
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18140355
3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanoic acid
CID 43466234
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylguanidine
CID 109430311
4-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanoic acid
CID 43473809
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-methoxyethoxyamino)ethanone
CID 82722147

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethanone (CID 106372552) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethanone is Cc1nc(CNCC(=O)N2CCc3sccc3C2)oc1C.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethanone?
The InChIKey is CTUGYEFLKVQWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-11(2)20-14(17-10)7-16-8-15(19)18-5-3-13-12(9-18)4-6-21-13/h4,6,16H,3,5,7-9H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethanone has a molecular weight of 305.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethanone is sourced from PubChem (CID 106372552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).