N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine

C13H10N4S — CID 6436791

IUPACN-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine
SMILESC(=N/Nc1nc2ccccc2s1)\c1ccncc1
InChIInChI=1S/C13H10N4S/c1-2-4-12-11(3-1)16-13(18-12)17-15-9-10-5-7-14-8-6-10/h1-9H,(H,16,17)/b15-9+
InChIKeyJLIFGFRXBLCQSK-OQLLNIDSSA-N
MW254.32 g/mol
LogP3.14
Rot. Bonds3

About N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine

N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine (PubChem CID 6436791) has the molecular formula C13H10N4S and a molecular weight of 254.32 g/mol. Its IUPAC name is N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine
PubChem CID6436791
Molecular FormulaC13H10N4S
Molecular Weight254.32 g/mol
Exact Mass254.06
IUPAC NameN-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine
SMILESC(=N/Nc1nc2ccccc2s1)\c1ccncc1
InChIInChI=1S/C13H10N4S/c1-2-4-12-11(3-1)16-13(18-12)17-15-9-10-5-7-14-8-6-10/h1-9H,(H,16,17)/b15-9+
InChIKeyJLIFGFRXBLCQSK-OQLLNIDSSA-N
XLogP3.14
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]benzonitrile
CID 5099485
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]benzoic acid
CID 3146680
4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,6-dichlorophenol
CID 135630268
N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 6301261
N-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine
CID 3963202
N-[(3-bromo-4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 3531137
N-[(2-bromophenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 4649808
bis(2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenol);cadmium
CID 135466896
2-[4-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenoxy]acetate
CID 7457404
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,6-ditert-butylphenol
CID 5268843
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-benzothiazol-2-amine
CID 40650984
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
CID 3136850

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine (CID 6436791) is N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine is C(=N/Nc1nc2ccccc2s1)\c1ccncc1.
What is the InChIKey of N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine?
The InChIKey is JLIFGFRXBLCQSK-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H10N4S/c1-2-4-12-11(3-1)16-13(18-12)17-15-9-10-5-7-14-8-6-10/h1-9H,(H,16,17)/b15-9+.
What are the key properties of N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine?
N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine has a molecular weight of 254.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 6436791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).