N-[5-(2-amino-1,3-benzoxazol-6-yl)-1,3-benzothiazol-2-yl]acetamide

C16H12N4O2S — CID 89212415

IUPACN-[5-(2-amino-1,3-benzoxazol-6-yl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2cc(-c3ccc4nc(N)oc4c3)ccc2s1
InChIInChI=1S/C16H12N4O2S/c1-8(21)18-16-20-12-6-9(3-5-14(12)23-16)10-2-4-11-13(7-10)22-15(17)19-11/h2-7H,1H3,(H2,17,19)(H,18,20,21)
InChIKeyJFLIZHUVSJMBNS-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.65
Rot. Bonds2

About N-[5-(2-amino-1,3-benzoxazol-6-yl)-1,3-benzothiazol-2-yl]acetamide

N-[5-(2-amino-1,3-benzoxazol-6-yl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 89212415) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-[5-(2-amino-1,3-benzoxazol-6-yl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-amino-1,3-benzoxazol-6-yl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID89212415
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC NameN-[5-(2-amino-1,3-benzoxazol-6-yl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2cc(-c3ccc4nc(N)oc4c3)ccc2s1
InChIInChI=1S/C16H12N4O2S/c1-8(21)18-16-20-12-6-9(3-5-14(12)23-16)10-2-4-11-13(7-10)22-15(17)19-11/h2-7H,1H3,(H2,17,19)(H,18,20,21)
InChIKeyJFLIZHUVSJMBNS-UHFFFAOYSA-N
XLogP3.65
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 51354316
2-acetamido-1,3-benzothiazole-6-carboxamide
CID 816956
N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide
CID 132578588
4-[6-(2-amino-1,3-benzoxazol-5-yl)-1,3-benzothiazol-2-yl]-3-methylpentan-2-one
CID 123152781
N-[5-(4-tert-butylcyclohexen-1-yl)-1,3-benzothiazol-2-yl]acetamide
CID 173185653
N-[5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-1,3-benzothiazol-2-yl]acetamide
CID 168539748
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)acetamide
CID 5310257
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide
CID 46328625
N-[6-[6-amino-5-(morpholine-4-carbonyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 59251894
N-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide
CID 86240110
N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide
CID 20971886

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-1,3-benzoxazol-6-yl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2-amino-1,3-benzoxazol-6-yl)-1,3-benzothiazol-2-yl]acetamide (CID 89212415) is N-[5-(2-amino-1,3-benzoxazol-6-yl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-amino-1,3-benzoxazol-6-yl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2-amino-1,3-benzoxazol-6-yl)-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2cc(-c3ccc4nc(N)oc4c3)ccc2s1.
What is the InChIKey of N-[5-(2-amino-1,3-benzoxazol-6-yl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is JFLIZHUVSJMBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c1-8(21)18-16-20-12-6-9(3-5-14(12)23-16)10-2-4-11-13(7-10)22-15(17)19-11/h2-7H,1H3,(H2,17,19)(H,18,20,21).
What are the key properties of N-[5-(2-amino-1,3-benzoxazol-6-yl)-1,3-benzothiazol-2-yl]acetamide?
N-[5-(2-amino-1,3-benzoxazol-6-yl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 324.37 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-1,3-benzoxazol-6-yl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 89212415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).