2-pyridin-2-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

C15H15N3OS — CID 2868231

IUPAC2-pyridin-2-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SMILESO=C1NC(c2ccccn2)Nc2sc3c(c21)CCCC3
InChIInChI=1S/C15H15N3OS/c19-14-12-9-5-1-2-7-11(9)20-15(12)18-13(17-14)10-6-3-4-8-16-10/h3-4,6,8,13,18H,1-2,5,7H2,(H,17,19)
InChIKeyMYMRDUMHGWGZIM-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.88
Rot. Bonds1

About 2-pyridin-2-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

2-pyridin-2-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one (PubChem CID 2868231) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-pyridin-2-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyridin-2-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
PubChem CID2868231
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-pyridin-2-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SMILESO=C1NC(c2ccccn2)Nc2sc3c(c21)CCCC3
InChIInChI=1S/C15H15N3OS/c19-14-12-9-5-1-2-7-11(9)20-15(12)18-13(17-14)10-6-3-4-8-16-10/h3-4,6,8,13,18H,1-2,5,7H2,(H,17,19)
InChIKeyMYMRDUMHGWGZIM-UHFFFAOYSA-N
XLogP2.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-pyridin-2-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-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-[1-[(2,6-Difluorophenyl)methyl]-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
CID 53388958
2-(2,2-dimethylpropanoylamino)-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2174274
5-Ethyl-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24819750
2-(butanoylamino)-N-(pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3153379
N-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)nicotinamide
CID 722715
N-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)isonicotinamide
CID 764010
Antimicrobial agent-21
CID 852961
6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2099944
N-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)picolinamide
CID 9966132
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(4,5,6,7-tetrahydrobenzo[c]thiophen-1-yl)methanone
CID 42606457
1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(pyridin-3-yl)thiophen-2-yl)urea
CID 44560620
(S)-1-(3-(piperidin-3-ylcarbamoyl)-5-(pyridin-4-yl)thiophen-2-yl)urea
CID 44560621

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-pyridin-2-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one (CID 2868231) is 2-pyridin-2-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-pyridin-2-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-pyridin-2-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one is O=C1NC(c2ccccn2)Nc2sc3c(c21)CCCC3.
What is the InChIKey of 2-pyridin-2-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The InChIKey is MYMRDUMHGWGZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c19-14-12-9-5-1-2-7-11(9)20-15(12)18-13(17-14)10-6-3-4-8-16-10/h3-4,6,8,13,18H,1-2,5,7H2,(H,17,19).
What are the key properties of 2-pyridin-2-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
2-pyridin-2-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one has a molecular weight of 285.37 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2868231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).