3-methyl-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one

C11H14N2OS — CID 10987846

IUPAC3-methyl-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESCC1CSc2nc3c(c(=O)n21)CCCC3
InChIInChI=1S/C11H14N2OS/c1-7-6-15-11-12-9-5-3-2-4-8(9)10(14)13(7)11/h7H,2-6H2,1H3
InChIKeyDGBXLXSTQNSBFV-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.79
Rot. Bonds

About 3-methyl-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one

3-methyl-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one (PubChem CID 10987846) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-methyl-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name3-methyl-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
PubChem CID10987846
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name3-methyl-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESCC1CSc2nc3c(c(=O)n21)CCCC3
InChIInChI=1S/C11H14N2OS/c1-7-6-15-11-12-9-5-3-2-4-8(9)10(14)13(7)11/h7H,2-6H2,1H3
InChIKeyDGBXLXSTQNSBFV-UHFFFAOYSA-N
XLogP1.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-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

N-cyclohexyl-N-methyl-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)thio]acetamide
CID 135544646
3-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)-6,7,8,9-tetrahydro-2H-thiazolo[2,3-b]quinazolin-5(3H)-one
CID 44044873
N-cyclopropyl-2-(5-oxo-3,5,6,7,8,9-hexahydro-2H-th
CID 44044889
3-(2-(azepan-1-yl)-2-oxoethyl)-6,7,8,9-tetrahydro-2H-thiazolo[2,3-b]quinazolin-5(3H)-one
CID 44044899
N-cyclohexyl-N-methyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide
CID 135680936
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
N-(3-methoxypropyl)-2-(5-oxo-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetamide
CID 44044902
N,N-Diethyl-2-({4-oxo-3H,4H,5H,6H,7H-cyclopenta[D]pyrimidin-2-YL}sulfanyl)acetamide
CID 135617845
N,N-diethyl-2-(4-oxo(3,5,6,7,8-pentahydroquinazolin-2-ylthio))acetamide
CID 135713613
2-(2-Oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136363184
10-Thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 10878030

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 3-methyl-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one (CID 10987846) is 3-methyl-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 3-methyl-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 3-methyl-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one is CC1CSc2nc3c(c(=O)n21)CCCC3.
What is the InChIKey of 3-methyl-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The InChIKey is DGBXLXSTQNSBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-7-6-15-11-12-9-5-3-2-4-8(9)10(14)13(7)11/h7H,2-6H2,1H3.
What are the key properties of 3-methyl-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
3-methyl-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one has a molecular weight of 222.31 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 10987846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).