4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N-methylaniline

C18H19N3OS — CID 89038264

IUPAC4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N-methylaniline
SMILESC=C1Sc2cc(OC)ccc2N1/C=C(\N)c1ccc(NC)cc1
InChIInChI=1S/C18H19N3OS/c1-12-21(17-9-8-15(22-3)10-18(17)23-12)11-16(19)13-4-6-14(20-2)7-5-13/h4-11,20H,1,19H2,2-3H3/b16-11-
InChIKeyFPPUTAIREKTSID-WJDWOHSUSA-N
MW325.44 g/mol
LogP4.08
Rot. Bonds4

About 4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N-methylaniline

4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N-methylaniline (PubChem CID 89038264) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N-methylaniline
PubChem CID89038264
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N-methylaniline
SMILESC=C1Sc2cc(OC)ccc2N1/C=C(\N)c1ccc(NC)cc1
InChIInChI=1S/C18H19N3OS/c1-12-21(17-9-8-15(22-3)10-18(17)23-12)11-16(19)13-4-6-14(20-2)7-5-13/h4-11,20H,1,19H2,2-3H3/b16-11-
InChIKeyFPPUTAIREKTSID-WJDWOHSUSA-N
XLogP4.08
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N-methylaniline?
The IUPAC name of 4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N-methylaniline (CID 89038264) is 4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N-methylaniline?
The canonical SMILES for 4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N-methylaniline is C=C1Sc2cc(OC)ccc2N1/C=C(\N)c1ccc(NC)cc1.
What is the InChIKey of 4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N-methylaniline?
The InChIKey is FPPUTAIREKTSID-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12-21(17-9-8-15(22-3)10-18(17)23-12)11-16(19)13-4-6-14(20-2)7-5-13/h4-11,20H,1,19H2,2-3H3/b16-11-.
What are the key properties of 4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N-methylaniline?
4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N-methylaniline has a molecular weight of 325.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-amino-2-(6-methoxy-2-methylidene-1,3-benzothiazol-3-yl)ethenyl]-N-methylaniline is sourced from PubChem (CID 89038264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).