2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hydrazinylidene]propanedinitrile

C14H12N6OS — CID 169341496

IUPAC2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C14H12N6OS/c15-8-11(9-16)19-18-10-1-2-12-13(7-10)22-14(17-12)20-3-5-21-6-4-20/h1-2,7,18H,3-6H2
InChIKeyYPTXITPZWQFFFK-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.95
Rot. Bonds3

About 2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hydrazinylidene]propanedinitrile

2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hydrazinylidene]propanedinitrile (PubChem CID 169341496) has the molecular formula C14H12N6OS and a molecular weight of 312.36 g/mol. Its IUPAC name is 2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hydrazinylidene]propanedinitrile
PubChem CID169341496
Molecular FormulaC14H12N6OS
Molecular Weight312.36 g/mol
Exact Mass312.08
IUPAC Name2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C14H12N6OS/c15-8-11(9-16)19-18-10-1-2-12-13(7-10)22-14(17-12)20-3-5-21-6-4-20/h1-2,7,18H,3-6H2
InChIKeyYPTXITPZWQFFFK-UHFFFAOYSA-N
XLogP1.95
TPSA97.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide
CID 43027638
4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)furan-3-carboxamide
CID 27021882
2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 37040838
(3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide
CID 95272006
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexa-2,4-dienamide
CID 74551313
1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea
CID 75466716
2-[(2-propan-2-yloxy-1,3-benzothiazol-6-yl)hydrazinylidene]propanedinitrile
CID 167211514
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719254
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 9405180

Frequently Asked Questions

What is the IUPAC name of 2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hydrazinylidene]propanedinitrile (CID 169341496) is 2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of 2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hydrazinylidene]propanedinitrile?
The InChIKey is YPTXITPZWQFFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6OS/c15-8-11(9-16)19-18-10-1-2-12-13(7-10)22-14(17-12)20-3-5-21-6-4-20/h1-2,7,18H,3-6H2.
What are the key properties of 2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hydrazinylidene]propanedinitrile?
2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hydrazinylidene]propanedinitrile has a molecular weight of 312.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169341496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).