1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one

C15H22N2OS — CID 121154228

IUPAC1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC(N2CCc3sccc3C2)C1
InChIInChI=1S/C15H22N2OS/c1-15(2,3)14(18)17-9-12(10-17)16-6-4-13-11(8-16)5-7-19-13/h5,7,12H,4,6,8-10H2,1-3H3
InChIKeyXICGICNTNKCAJX-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.36
Rot. Bonds1

About 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 121154228) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID121154228
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC(N2CCc3sccc3C2)C1
InChIInChI=1S/C15H22N2OS/c1-15(2,3)14(18)17-9-12(10-17)16-6-4-13-11(8-16)5-7-19-13/h5,7,12H,4,6,8-10H2,1-3H3
InChIKeyXICGICNTNKCAJX-UHFFFAOYSA-N
XLogP2.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one 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

1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 91625159
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylazetidine-1-carboxamide
CID 121154512
1-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride
CID 121154421
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]pentan-1-one;hydrochloride
CID 119099941
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 121154415
6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one
CID 121017174
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methoxyethyl)azetidine-1-carboxamide
CID 121154530
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 121154289
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 121154515
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 121154445
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 121154276
(3-chlorophenyl)-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone
CID 121154441

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one (CID 121154228) is 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CC(N2CCc3sccc3C2)C1.
What is the InChIKey of 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is XICGICNTNKCAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-15(2,3)14(18)17-9-12(10-17)16-6-4-13-11(8-16)5-7-19-13/h5,7,12H,4,6,8-10H2,1-3H3.
What are the key properties of 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 278.42 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 121154228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).