4-methyl-3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one

C12H16N2OS — CID 11806641

IUPAC4-methyl-3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one
SMILESCC1CCSc2nc3c(c(=O)n21)CCCC3
InChIInChI=1S/C12H16N2OS/c1-8-6-7-16-12-13-10-5-3-2-4-9(10)11(15)14(8)12/h8H,2-7H2,1H3
InChIKeyCCAICSUXUWWHAD-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.18
Rot. Bonds

About 4-methyl-3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one

4-methyl-3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one (PubChem CID 11806641) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-methyl-3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one.

Molecular Properties

Compound Name4-methyl-3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one
PubChem CID11806641
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name4-methyl-3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one
SMILESCC1CCSc2nc3c(c(=O)n21)CCCC3
InChIInChI=1S/C12H16N2OS/c1-8-6-7-16-12-13-10-5-3-2-4-9(10)11(15)14(8)12/h8H,2-7H2,1H3
InChIKeyCCAICSUXUWWHAD-UHFFFAOYSA-N
XLogP2.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one with MolForge

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Launch Full Analysis

Related Compounds

N-cyclohexyl-N-methyl-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)thio]acetamide
CID 135544646
N-cyclohexyl-2-(4-oxo(3,5,6,7,8-pentahydroquinazolin-2-ylthio))acetamide
CID 135773967
5-ethyl-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135455108
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135460585
5-ethyl-4-methyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135442429
2-(Methylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 341216
3-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)-6,7,8,9-tetrahydro-2H-thiazolo[2,3-b]quinazolin-5(3H)-one
CID 44044873
2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one
CID 135680937
3-[2-(4-Ethylpiperazin-1-yl)-2-oxoethyl]-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 44044874
7-hexyl-8-hydroxy-3,4-dihydropyrimido[2,1-b][1,3]thiazin-6(2H)-one
CID 135420493
8-Hydroxy-7-pentyl-2H,3H,4H,6H-pyrimido[2,1-B][1,3]thiazin-6-one
CID 135584595
N,N-diethyl-2-(4-oxo(3,5,6,7,8-pentahydroquinazolin-2-ylthio))acetamide
CID 135713613

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one?
The IUPAC name of 4-methyl-3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one (CID 11806641) is 4-methyl-3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one.
What is the SMILES notation for 4-methyl-3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one?
The canonical SMILES for 4-methyl-3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one is CC1CCSc2nc3c(c(=O)n21)CCCC3.
What is the InChIKey of 4-methyl-3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one?
The InChIKey is CCAICSUXUWWHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-6-7-16-12-13-10-5-3-2-4-9(10)11(15)14(8)12/h8H,2-7H2,1H3.
What are the key properties of 4-methyl-3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one?
4-methyl-3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one has a molecular weight of 236.34 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one is sourced from PubChem (CID 11806641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).