2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine

C14H13N3OS — CID 58592094

IUPAC2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine
SMILESCN(C)c1cnc(/C=C/c2nc3ccccc3s2)o1
InChIInChI=1S/C14H13N3OS/c1-17(2)14-9-15-12(18-14)7-8-13-16-10-5-3-4-6-11(10)19-13/h3-9H,1-2H3/b8-7+
InChIKeyRXXRNXKTVOSWPS-BQYQJAHWSA-N
MW271.35 g/mol
LogP3.52
Rot. Bonds3

About 2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine

2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine (PubChem CID 58592094) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine
PubChem CID58592094
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine
SMILESCN(C)c1cnc(/C=C/c2nc3ccccc3s2)o1
InChIInChI=1S/C14H13N3OS/c1-17(2)14-9-15-12(18-14)7-8-13-16-10-5-3-4-6-11(10)19-13/h3-9H,1-2H3/b8-7+
InChIKeyRXXRNXKTVOSWPS-BQYQJAHWSA-N
XLogP3.52
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine?
The IUPAC name of 2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine (CID 58592094) is 2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine.
What is the SMILES notation for 2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine?
The canonical SMILES for 2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine is CN(C)c1cnc(/C=C/c2nc3ccccc3s2)o1.
What is the InChIKey of 2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine?
The InChIKey is RXXRNXKTVOSWPS-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-17(2)14-9-15-12(18-14)7-8-13-16-10-5-3-4-6-11(10)19-13/h3-9H,1-2H3/b8-7+.
What are the key properties of 2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine?
2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine has a molecular weight of 271.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine is sourced from PubChem (CID 58592094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).