5-cyclopropyl-3-([1,3]dioxolo[4,5-e][1,3]benzothiazol-7-yl)-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one

C17H18N4O3S — CID 167020531

IUPAC5-cyclopropyl-3-([1,3]dioxolo[4,5-e][1,3]benzothiazol-7-yl)-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
SMILESO=C1NC2CCN(C3CC3)CC2N1c1nc2c3c(ccc2s1)OCO3
InChIInChI=1S/C17H18N4O3S/c22-16-18-10-5-6-20(9-1-2-9)7-11(10)21(16)17-19-14-13(25-17)4-3-12-15(14)24-8-23-12/h3-4,9-11H,1-2,5-8H2,(H,18,22)
InChIKeySNCBGUTWHOBQCB-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.16
Rot. Bonds2

About 5-cyclopropyl-3-([1,3]dioxolo[4,5-e][1,3]benzothiazol-7-yl)-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one

5-cyclopropyl-3-([1,3]dioxolo[4,5-e][1,3]benzothiazol-7-yl)-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one (PubChem CID 167020531) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-cyclopropyl-3-([1,3]dioxolo[4,5-e][1,3]benzothiazol-7-yl)-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name5-cyclopropyl-3-([1,3]dioxolo[4,5-e][1,3]benzothiazol-7-yl)-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
PubChem CID167020531
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name5-cyclopropyl-3-([1,3]dioxolo[4,5-e][1,3]benzothiazol-7-yl)-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
SMILESO=C1NC2CCN(C3CC3)CC2N1c1nc2c3c(ccc2s1)OCO3
InChIInChI=1S/C17H18N4O3S/c22-16-18-10-5-6-20(9-1-2-9)7-11(10)21(16)17-19-14-13(25-17)4-3-12-15(14)24-8-23-12/h3-4,9-11H,1-2,5-8H2,(H,18,22)
InChIKeySNCBGUTWHOBQCB-UHFFFAOYSA-N
XLogP2.16
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-3-([1,3]dioxolo[4,5-e][1,3]benzothiazol-7-yl)-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-([1,3]dioxolo[4,5-e][1,3]benzothiazol-7-yl)-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 5-cyclopropyl-3-([1,3]dioxolo[4,5-e][1,3]benzothiazol-7-yl)-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one (CID 167020531) is 5-cyclopropyl-3-([1,3]dioxolo[4,5-e][1,3]benzothiazol-7-yl)-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 5-cyclopropyl-3-([1,3]dioxolo[4,5-e][1,3]benzothiazol-7-yl)-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 5-cyclopropyl-3-([1,3]dioxolo[4,5-e][1,3]benzothiazol-7-yl)-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one is O=C1NC2CCN(C3CC3)CC2N1c1nc2c3c(ccc2s1)OCO3.
What is the InChIKey of 5-cyclopropyl-3-([1,3]dioxolo[4,5-e][1,3]benzothiazol-7-yl)-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one?
The InChIKey is SNCBGUTWHOBQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c22-16-18-10-5-6-20(9-1-2-9)7-11(10)21(16)17-19-14-13(25-17)4-3-12-15(14)24-8-23-12/h3-4,9-11H,1-2,5-8H2,(H,18,22).
What are the key properties of 5-cyclopropyl-3-([1,3]dioxolo[4,5-e][1,3]benzothiazol-7-yl)-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one?
5-cyclopropyl-3-([1,3]dioxolo[4,5-e][1,3]benzothiazol-7-yl)-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one has a molecular weight of 358.42 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-([1,3]dioxolo[4,5-e][1,3]benzothiazol-7-yl)-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 167020531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).