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

C15H20N4OS — CID 103851603

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanone
SMILESCc1c(CNCC(=O)N2CCc3sccc3C2)cnn1C
InChIInChI=1S/C15H20N4OS/c1-11-13(8-17-18(11)2)7-16-9-15(20)19-5-3-14-12(10-19)4-6-21-14/h4,6,8,16H,3,5,7,9-10H2,1-2H3
InChIKeySAZQJDUQPBIYNM-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.46
Rot. Bonds4

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

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanone (PubChem CID 103851603) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanone
PubChem CID103851603
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanone
SMILESCc1c(CNCC(=O)N2CCc3sccc3C2)cnn1C
InChIInChI=1S/C15H20N4OS/c1-11-13(8-17-18(11)2)7-16-9-15(20)19-5-3-14-12(10-19)4-6-21-14/h4,6,8,16H,3,5,7,9-10H2,1-2H3
InChIKeySAZQJDUQPBIYNM-UHFFFAOYSA-N
XLogP1.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.46
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-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethanone
CID 106372552
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
3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanoic acid
CID 43466234
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methoxypropylamino)ethanone
CID 43388492
4-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanoic acid
CID 43473809
2-(3-chloro-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 43388490
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 25116648
ethyl 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanoate
CID 61498759
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4,4,4-trifluorobutylamino)ethanone
CID 115518288

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanone (CID 103851603) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanone is Cc1c(CNCC(=O)N2CCc3sccc3C2)cnn1C.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanone?
The InChIKey is SAZQJDUQPBIYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11-13(8-17-18(11)2)7-16-9-15(20)19-5-3-14-12(10-19)4-6-21-14/h4,6,8,16H,3,5,7,9-10H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanone has a molecular weight of 304.42 g/mol, XLogP of 1.46, 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-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanone is sourced from PubChem (CID 103851603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).