N-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine

C13H11N5S — CID 5351439

IUPACN-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2s1)c1ccncn1
InChIInChI=1S/C13H11N5S/c1-9(10-6-7-14-8-15-10)17-18-13-16-11-4-2-3-5-12(11)19-13/h2-8H,1H3,(H,16,18)/b17-9+
InChIKeyZMEIUSLAHMLILY-RQZCQDPDSA-N
MW269.33 g/mol
LogP2.92
Rot. Bonds3

About N-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine

N-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine (PubChem CID 5351439) has the molecular formula C13H11N5S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine
PubChem CID5351439
Molecular FormulaC13H11N5S
Molecular Weight269.33 g/mol
Exact Mass269.07
IUPAC NameN-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2s1)c1ccncn1
InChIInChI=1S/C13H11N5S/c1-9(10-6-7-14-8-15-10)17-18-13-16-11-4-2-3-5-12(11)19-13/h2-8H,1H3,(H,16,18)/b17-9+
InChIKeyZMEIUSLAHMLILY-RQZCQDPDSA-N
XLogP2.92
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine
CID 4283631
N-[(E)-1-(2-aminophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
CID 162655441
N-[(Z)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine
CID 5470579
N-[(Z)-1-(3-fluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
CID 29223445
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
CID 9017093
N-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine
CID 3249853
2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]-1H-pyridin-4-one
CID 145130276
6-[5-[N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]thiophen-2-yl]pyridine-2-carboxylic acid
CID 78168402
N-[(Z)-4-phenylbutan-2-ylideneamino]-1,3-benzothiazol-2-amine
CID 9017097
N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1,3-benzothiazol-2-amine
CID 9017037
N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine
CID 6436791
ethyl 3-(1,3-benzothiazol-2-ylhydrazinylidene)butanoate
CID 71353880

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine (CID 5351439) is N-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine is C/C(=N\Nc1nc2ccccc2s1)c1ccncn1.
What is the InChIKey of N-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine?
The InChIKey is ZMEIUSLAHMLILY-RQZCQDPDSA-N. The full InChI is InChI=1S/C13H11N5S/c1-9(10-6-7-14-8-15-10)17-18-13-16-11-4-2-3-5-12(11)19-13/h2-8H,1H3,(H,16,18)/b17-9+.
What are the key properties of N-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine?
N-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine has a molecular weight of 269.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 5351439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).