N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclopropanecarboxamide

C12H10N2O3S — CID 7202928

IUPACN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCO3)C1CC1
InChIInChI=1S/C12H10N2O3S/c15-11(6-1-2-6)14-12-13-7-3-8-9(17-5-16-8)4-10(7)18-12/h3-4,6H,1-2,5H2,(H,13,14,15)
InChIKeyDSJKDEHDUZKAON-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.37
Rot. Bonds2

About N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclopropanecarboxamide

N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclopropanecarboxamide (PubChem CID 7202928) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclopropanecarboxamide
PubChem CID7202928
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCO3)C1CC1
InChIInChI=1S/C12H10N2O3S/c15-11(6-1-2-6)14-12-13-7-3-8-9(17-5-16-8)4-10(7)18-12/h3-4,6H,1-2,5H2,(H,13,14,15)
InChIKeyDSJKDEHDUZKAON-UHFFFAOYSA-N
XLogP2.37
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclopropanecarboxamide?
The IUPAC name of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclopropanecarboxamide (CID 7202928) is N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclopropanecarboxamide?
The canonical SMILES for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclopropanecarboxamide is O=C(Nc1nc2cc3c(cc2s1)OCO3)C1CC1.
What is the InChIKey of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclopropanecarboxamide?
The InChIKey is DSJKDEHDUZKAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c15-11(6-1-2-6)14-12-13-7-3-8-9(17-5-16-8)4-10(7)18-12/h3-4,6H,1-2,5H2,(H,13,14,15).
What are the key properties of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclopropanecarboxamide?
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclopropanecarboxamide has a molecular weight of 262.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclopropanecarboxamide is sourced from PubChem (CID 7202928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).