N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1,3-thiazol-4-yl)acetamide

C13H8F2N4O3S — CID 123432765

IUPACN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1cscn1)Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3
InChIInChI=1S/C13H8F2N4O3S/c14-13(15)21-9-2-7-8(3-10(9)22-13)18-12(17-7)19-11(20)1-6-4-23-5-16-6/h2-5H,1H2,(H2,17,18,19,20)
InChIKeyCLDZMZMFWHRJPD-UHFFFAOYSA-N
MW338.30 g/mol
LogP2.52
Rot. Bonds3

About N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1,3-thiazol-4-yl)acetamide

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1,3-thiazol-4-yl)acetamide (PubChem CID 123432765) has the molecular formula C13H8F2N4O3S and a molecular weight of 338.30 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1,3-thiazol-4-yl)acetamide
PubChem CID123432765
Molecular FormulaC13H8F2N4O3S
Molecular Weight338.30 g/mol
Exact Mass338.03
IUPAC NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1cscn1)Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3
InChIInChI=1S/C13H8F2N4O3S/c14-13(15)21-9-2-7-8(3-10(9)22-13)18-12(17-7)19-11(20)1-6-4-23-5-16-6/h2-5H,1H2,(H2,17,18,19,20)
InChIKeyCLDZMZMFWHRJPD-UHFFFAOYSA-N
XLogP2.52
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1,3-thiazol-4-yl)acetamide (CID 123432765) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1,3-thiazol-4-yl)acetamide is O=C(Cc1cscn1)Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3.
What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1,3-thiazol-4-yl)acetamide?
The InChIKey is CLDZMZMFWHRJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N4O3S/c14-13(15)21-9-2-7-8(3-10(9)22-13)18-12(17-7)19-11(20)1-6-4-23-5-16-6/h2-5H,1H2,(H2,17,18,19,20).
What are the key properties of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1,3-thiazol-4-yl)acetamide?
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1,3-thiazol-4-yl)acetamide has a molecular weight of 338.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 123432765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).