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

C11H14N2OS — CID 10977042

IUPAC3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one
SMILESO=c1c2c(nc3n1CCCS3)CCCC2
InChIInChI=1S/C11H14N2OS/c14-10-8-4-1-2-5-9(8)12-11-13(10)6-3-7-15-11/h1-7H2
InChIKeyANGMFZPVKJWXJP-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.62
Rot. Bonds

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

3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one (PubChem CID 10977042) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one.

Molecular Properties

Compound Name3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one
PubChem CID10977042
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one
SMILESO=c1c2c(nc3n1CCCS3)CCCC2
InChIInChI=1S/C11H14N2OS/c14-10-8-4-1-2-5-9(8)12-11-13(10)6-3-7-15-11/h1-7H2
InChIKeyANGMFZPVKJWXJP-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
2-((4-Hydroxy-5,6,7,8-tetrahydroquinazolin-2-yl)thio)-1-morpholinoethanone
CID 135657716
N,N-diethyl-2-(4-oxo(3,5,6,7,8-pentahydroquinazolin-2-ylthio))acetamide
CID 135713613
2-{[2-Oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1,4,5,6,7,8-hexahydroquinazolin-4-one
CID 136209752
2,3,6,7,8,9-Hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 10867512
3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 23155891
N-hexyl-4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]butanamide
CID 159659028
8-(diethylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 4906761
2-(Sulfanylmethyl)-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 10171482
10-Thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 10976692
3-Methyl-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 10987846
4-methyl-3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one
CID 11806641

Frequently Asked Questions

What is the IUPAC name of 3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one?
The IUPAC name of 3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one (CID 10977042) is 3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one.
What is the SMILES notation for 3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one?
The canonical SMILES for 3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one is O=c1c2c(nc3n1CCCS3)CCCC2.
What is the InChIKey of 3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one?
The InChIKey is ANGMFZPVKJWXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c14-10-8-4-1-2-5-9(8)12-11-13(10)6-3-7-15-11/h1-7H2.
What are the key properties of 3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one?
3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one has a molecular weight of 222.31 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one is sourced from PubChem (CID 10977042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).