1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinan-2-one

C11H15N3OS — CID 115371059

IUPAC1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1nc2c(s1)CCCC2
InChIInChI=1S/C11H15N3OS/c15-10-12-6-3-7-14(10)11-13-8-4-1-2-5-9(8)16-11/h1-7H2,(H,12,15)
InChIKeyFMKQNANRPRONOD-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.94
Rot. Bonds1

About 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinan-2-one

1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinan-2-one (PubChem CID 115371059) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinan-2-one
PubChem CID115371059
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1nc2c(s1)CCCC2
InChIInChI=1S/C11H15N3OS/c15-10-12-6-3-7-14(10)11-13-8-4-1-2-5-9(8)16-11/h1-7H2,(H,12,15)
InChIKeyFMKQNANRPRONOD-UHFFFAOYSA-N
XLogP1.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinan-2-one?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinan-2-one (CID 115371059) is 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinan-2-one is O=C1NCCCN1c1nc2c(s1)CCCC2.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinan-2-one?
The InChIKey is FMKQNANRPRONOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c15-10-12-6-3-7-14(10)11-13-8-4-1-2-5-9(8)16-11/h1-7H2,(H,12,15).
What are the key properties of 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinan-2-one?
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinan-2-one has a molecular weight of 237.33 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinan-2-one is sourced from PubChem (CID 115371059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).