7-methoxy-3-methyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one

C10H12N2O2S — CID 105356139

IUPAC7-methoxy-3-methyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one
SMILESCOc1ccc2c(n1)SCC(C)C(=O)N2
InChIInChI=1S/C10H12N2O2S/c1-6-5-15-10-7(11-9(6)13)3-4-8(12-10)14-2/h3-4,6H,5H2,1-2H3,(H,11,13)
InChIKeyJYGBKACJJFBKLT-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.77
Rot. Bonds1

About 7-methoxy-3-methyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one

7-methoxy-3-methyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one (PubChem CID 105356139) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 7-methoxy-3-methyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one.

Molecular Properties

Compound Name7-methoxy-3-methyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one
PubChem CID105356139
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name7-methoxy-3-methyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one
SMILESCOc1ccc2c(n1)SCC(C)C(=O)N2
InChIInChI=1S/C10H12N2O2S/c1-6-5-15-10-7(11-9(6)13)3-4-8(12-10)14-2/h3-4,6H,5H2,1-2H3,(H,11,13)
InChIKeyJYGBKACJJFBKLT-UHFFFAOYSA-N
XLogP1.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-6-methoxy-3,4-dihydro-1H-1,5-naphthyridin-2-one
CID 53414723
9-hydroxy-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 115098262
3,9-dimethyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one
CID 105356151
3-methyl-8-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 115098538
5-methyl-1,3-thiazinane-2,4-dione
CID 13448592
(3S)-7-chloro-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 97184640
7,8-dichloro-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 105356148
7-methoxy-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
CID 115323583
4,12-dimethoxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
CID 115323552
(3S)-7-methoxy-3-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 66651136
6-methoxy-2,4-dihydro-1H-1,5-naphthyridin-3-one
CID 58200875
7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
CID 113287004

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one?
The IUPAC name of 7-methoxy-3-methyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one (CID 105356139) is 7-methoxy-3-methyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one.
What is the SMILES notation for 7-methoxy-3-methyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one?
The canonical SMILES for 7-methoxy-3-methyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one is COc1ccc2c(n1)SCC(C)C(=O)N2.
What is the InChIKey of 7-methoxy-3-methyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one?
The InChIKey is JYGBKACJJFBKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-6-5-15-10-7(11-9(6)13)3-4-8(12-10)14-2/h3-4,6H,5H2,1-2H3,(H,11,13).
What are the key properties of 7-methoxy-3-methyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one?
7-methoxy-3-methyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one has a molecular weight of 224.28 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one is sourced from PubChem (CID 105356139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).