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

C10H12N2OS — CID 10867512

IUPAC2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESO=c1c2c(nc3n1CCS3)CCCC2
InChIInChI=1S/C10H12N2OS/c13-9-7-3-1-2-4-8(7)11-10-12(9)5-6-14-10/h1-6H2
InChIKeyLLJVAMMNGDYKCR-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.23
Rot. Bonds

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

2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one (PubChem CID 10867512) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
PubChem CID10867512
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESO=c1c2c(nc3n1CCS3)CCCC2
InChIInChI=1S/C10H12N2OS/c13-9-7-3-1-2-4-8(7)11-10-12(9)5-6-14-10/h1-6H2
InChIKeyLLJVAMMNGDYKCR-UHFFFAOYSA-N
XLogP1.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one (CID 10867512) is 2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one is O=c1c2c(nc3n1CCS3)CCCC2.
What is the InChIKey of 2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The InChIKey is LLJVAMMNGDYKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c13-9-7-3-1-2-4-8(7)11-10-12(9)5-6-14-10/h1-6H2.
What are the key properties of 2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one has a molecular weight of 208.29 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 10867512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).