N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine

C16H9ClN4O3S — CID 7110096

IUPACN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESClc1ccccc1-c1nnc(Nc2nc3cc4c(cc3s2)OCO4)o1
InChIInChI=1S/C16H9ClN4O3S/c17-9-4-2-1-3-8(9)14-20-21-15(24-14)19-16-18-10-5-11-12(23-7-22-11)6-13(10)25-16/h1-6H,7H2,(H,18,19,21)
InChIKeyXAJFZDJSSPAAJW-UHFFFAOYSA-N
MW372.79 g/mol
LogP4.47
Rot. Bonds3

About N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine

N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (PubChem CID 7110096) has the molecular formula C16H9ClN4O3S and a molecular weight of 372.79 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
PubChem CID7110096
Molecular FormulaC16H9ClN4O3S
Molecular Weight372.79 g/mol
Exact Mass372.01
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESClc1ccccc1-c1nnc(Nc2nc3cc4c(cc3s2)OCO4)o1
InChIInChI=1S/C16H9ClN4O3S/c17-9-4-2-1-3-8(9)14-20-21-15(24-14)19-16-18-10-5-11-12(23-7-22-11)6-13(10)25-16/h1-6H,7H2,(H,18,19,21)
InChIKeyXAJFZDJSSPAAJW-UHFFFAOYSA-N
XLogP4.47
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 7110097
N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 43968835
N-(2-methyl-1,3-benzothiazol-5-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 43968771
5-(2-chlorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 83884740
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
3-chloro-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
CID 7202716
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 6622265
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)acetamide
CID 5310257
3-(2-chlorophenyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43989523
N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391340
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylbenzamide
CID 7189878
1-[2-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 7110089

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (CID 7110096) is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is Clc1ccccc1-c1nnc(Nc2nc3cc4c(cc3s2)OCO4)o1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The InChIKey is XAJFZDJSSPAAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN4O3S/c17-9-4-2-1-3-8(9)14-20-21-15(24-14)19-16-18-10-5-11-12(23-7-22-11)6-13(10)25-16/h1-6H,7H2,(H,18,19,21).
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine has a molecular weight of 372.79 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is sourced from PubChem (CID 7110096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).