3,5,5a,6,7,8-hexahydro-2H-[1,3]thiazolo[2,3-b]quinazoline

C10H14N2S — CID 155166507

IUPAC3,5,5a,6,7,8-hexahydro-2H-[1,3]thiazolo[2,3-b]quinazoline
SMILESC1=C2N=C3SCCN3CC2CCC1
InChIInChI=1S/C10H14N2S/c1-2-4-9-8(3-1)7-12-5-6-13-10(12)11-9/h4,8H,1-3,5-7H2
InChIKeyJCMDGYIZKCVYLW-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.09
Rot. Bonds

About 3,5,5a,6,7,8-hexahydro-2H-[1,3]thiazolo[2,3-b]quinazoline

3,5,5a,6,7,8-hexahydro-2H-[1,3]thiazolo[2,3-b]quinazoline (PubChem CID 155166507) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 3,5,5a,6,7,8-hexahydro-2H-[1,3]thiazolo[2,3-b]quinazoline.

Molecular Properties

Compound Name3,5,5a,6,7,8-hexahydro-2H-[1,3]thiazolo[2,3-b]quinazoline
PubChem CID155166507
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name3,5,5a,6,7,8-hexahydro-2H-[1,3]thiazolo[2,3-b]quinazoline
SMILESC1=C2N=C3SCCN3CC2CCC1
InChIInChI=1S/C10H14N2S/c1-2-4-9-8(3-1)7-12-5-6-13-10(12)11-9/h4,8H,1-3,5-7H2
InChIKeyJCMDGYIZKCVYLW-UHFFFAOYSA-N
XLogP2.09
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,5a,6,7,8-hexahydro-2H-[1,3]thiazolo[2,3-b]quinazoline?
The IUPAC name of 3,5,5a,6,7,8-hexahydro-2H-[1,3]thiazolo[2,3-b]quinazoline (CID 155166507) is 3,5,5a,6,7,8-hexahydro-2H-[1,3]thiazolo[2,3-b]quinazoline.
What is the SMILES notation for 3,5,5a,6,7,8-hexahydro-2H-[1,3]thiazolo[2,3-b]quinazoline?
The canonical SMILES for 3,5,5a,6,7,8-hexahydro-2H-[1,3]thiazolo[2,3-b]quinazoline is C1=C2N=C3SCCN3CC2CCC1.
What is the InChIKey of 3,5,5a,6,7,8-hexahydro-2H-[1,3]thiazolo[2,3-b]quinazoline?
The InChIKey is JCMDGYIZKCVYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-2-4-9-8(3-1)7-12-5-6-13-10(12)11-9/h4,8H,1-3,5-7H2.
What are the key properties of 3,5,5a,6,7,8-hexahydro-2H-[1,3]thiazolo[2,3-b]quinazoline?
3,5,5a,6,7,8-hexahydro-2H-[1,3]thiazolo[2,3-b]quinazoline has a molecular weight of 194.30 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5a,6,7,8-hexahydro-2H-[1,3]thiazolo[2,3-b]quinazoline is sourced from PubChem (CID 155166507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).