9-chloro-1-oxo-3,5-dihydro-2H-pyrido[4,3-b][1,4]thiazepin-4-one

C8H7ClN2O2S — CID 130520575

IUPAC9-chloro-1-oxo-3,5-dihydro-2H-pyrido[4,3-b][1,4]thiazepin-4-one
SMILESO=C1CCS(=O)c2c(Cl)cncc2N1
InChIInChI=1S/C8H7ClN2O2S/c9-5-3-10-4-6-8(5)14(13)2-1-7(12)11-6/h3-4H,1-2H2,(H,11,12)
InChIKeyUZASJLKDPGEDBU-UHFFFAOYSA-N
MW230.68 g/mol
LogP1.18
Rot. Bonds

About 9-chloro-1-oxo-3,5-dihydro-2H-pyrido[4,3-b][1,4]thiazepin-4-one

9-chloro-1-oxo-3,5-dihydro-2H-pyrido[4,3-b][1,4]thiazepin-4-one (PubChem CID 130520575) has the molecular formula C8H7ClN2O2S and a molecular weight of 230.68 g/mol. Its IUPAC name is 9-chloro-1-oxo-3,5-dihydro-2H-pyrido[4,3-b][1,4]thiazepin-4-one.

Molecular Properties

Compound Name9-chloro-1-oxo-3,5-dihydro-2H-pyrido[4,3-b][1,4]thiazepin-4-one
PubChem CID130520575
Molecular FormulaC8H7ClN2O2S
Molecular Weight230.68 g/mol
Exact Mass229.99
IUPAC Name9-chloro-1-oxo-3,5-dihydro-2H-pyrido[4,3-b][1,4]thiazepin-4-one
SMILESO=C1CCS(=O)c2c(Cl)cncc2N1
InChIInChI=1S/C8H7ClN2O2S/c9-5-3-10-4-6-8(5)14(13)2-1-7(12)11-6/h3-4H,1-2H2,(H,11,12)
InChIKeyUZASJLKDPGEDBU-UHFFFAOYSA-N
XLogP1.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.68
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 105356964
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CID 105357022
3,4-dihydro-1H-1,6-naphthyridin-2-one
CID 18952402
2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-4-carbaldehyde
CID 130115991
1,4,6,7-tetrahydropyrazolo[5,4-b][1,4]oxazepin-5-one
CID 145225037
8-chloro-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82230687
7-amino-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82230635
6-chloro-2-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-10-one
CID 3050524
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7-chloro-5-(3,5-dichloro-4-pyridinyl)-1,3-dihydroindol-2-one
CID 122655698
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
8-chloro-7-iodo-3,4-dihydro-1H-1-benzazepine-2,5-dione
CID 58476599

Frequently Asked Questions

What is the IUPAC name of 9-chloro-1-oxo-3,5-dihydro-2H-pyrido[4,3-b][1,4]thiazepin-4-one?
The IUPAC name of 9-chloro-1-oxo-3,5-dihydro-2H-pyrido[4,3-b][1,4]thiazepin-4-one (CID 130520575) is 9-chloro-1-oxo-3,5-dihydro-2H-pyrido[4,3-b][1,4]thiazepin-4-one.
What is the SMILES notation for 9-chloro-1-oxo-3,5-dihydro-2H-pyrido[4,3-b][1,4]thiazepin-4-one?
The canonical SMILES for 9-chloro-1-oxo-3,5-dihydro-2H-pyrido[4,3-b][1,4]thiazepin-4-one is O=C1CCS(=O)c2c(Cl)cncc2N1.
What is the InChIKey of 9-chloro-1-oxo-3,5-dihydro-2H-pyrido[4,3-b][1,4]thiazepin-4-one?
The InChIKey is UZASJLKDPGEDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2S/c9-5-3-10-4-6-8(5)14(13)2-1-7(12)11-6/h3-4H,1-2H2,(H,11,12).
What are the key properties of 9-chloro-1-oxo-3,5-dihydro-2H-pyrido[4,3-b][1,4]thiazepin-4-one?
9-chloro-1-oxo-3,5-dihydro-2H-pyrido[4,3-b][1,4]thiazepin-4-one has a molecular weight of 230.68 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-1-oxo-3,5-dihydro-2H-pyrido[4,3-b][1,4]thiazepin-4-one is sourced from PubChem (CID 130520575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).