(E)-(5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-ylidene)hydrazine

C13H20N4OS — CID 11999038

IUPAC(E)-(5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-ylidene)hydrazine
SMILESCC1(C)C/C(=N\N)c2sc(N3CCOCC3)nc2C1
InChIInChI=1S/C13H20N4OS/c1-13(2)7-9-11(10(8-13)16-14)19-12(15-9)17-3-5-18-6-4-17/h3-8,14H2,1-2H3/b16-10+
InChIKeyPCZFIQRSMXNTGZ-MHWRWJLKSA-N
MW280.40 g/mol
LogP1.61
Rot. Bonds1

About (E)-(5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-ylidene)hydrazine

(E)-(5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-ylidene)hydrazine (PubChem CID 11999038) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is (E)-(5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-ylidene)hydrazine.

Molecular Properties

Compound Name(E)-(5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-ylidene)hydrazine
PubChem CID11999038
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name(E)-(5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-ylidene)hydrazine
SMILESCC1(C)C/C(=N\N)c2sc(N3CCOCC3)nc2C1
InChIInChI=1S/C13H20N4OS/c1-13(2)7-9-11(10(8-13)16-14)19-12(15-9)17-3-5-18-6-4-17/h3-8,14H2,1-2H3/b16-10+
InChIKeyPCZFIQRSMXNTGZ-MHWRWJLKSA-N
XLogP1.61
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-(5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-ylidene)hydrazine?
The IUPAC name of (E)-(5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-ylidene)hydrazine (CID 11999038) is (E)-(5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-ylidene)hydrazine.
What is the SMILES notation for (E)-(5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-ylidene)hydrazine?
The canonical SMILES for (E)-(5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-ylidene)hydrazine is CC1(C)C/C(=N\N)c2sc(N3CCOCC3)nc2C1.
What is the InChIKey of (E)-(5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-ylidene)hydrazine?
The InChIKey is PCZFIQRSMXNTGZ-MHWRWJLKSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-13(2)7-9-11(10(8-13)16-14)19-12(15-9)17-3-5-18-6-4-17/h3-8,14H2,1-2H3/b16-10+.
What are the key properties of (E)-(5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-ylidene)hydrazine?
(E)-(5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-ylidene)hydrazine has a molecular weight of 280.40 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-ylidene)hydrazine is sourced from PubChem (CID 11999038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).