N-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine

C14H12N4S — CID 4283631

IUPACN-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine
SMILESCC(=NNc1nc2ccccc2s1)c1cccnc1
InChIInChI=1S/C14H12N4S/c1-10(11-5-4-8-15-9-11)17-18-14-16-12-6-2-3-7-13(12)19-14/h2-9H,1H3,(H,16,18)
InChIKeyJWMMGEBFIYWTGX-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.53
Rot. Bonds3

About N-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine

N-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine (PubChem CID 4283631) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is N-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine
PubChem CID4283631
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC NameN-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine
SMILESCC(=NNc1nc2ccccc2s1)c1cccnc1
InChIInChI=1S/C14H12N4S/c1-10(11-5-4-8-15-9-11)17-18-14-16-12-6-2-3-7-13(12)19-14/h2-9H,1H3,(H,16,18)
InChIKeyJWMMGEBFIYWTGX-UHFFFAOYSA-N
XLogP3.53
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.53
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

N-[(Z)-1-(3-fluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
CID 29223445
N-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine
CID 5351439
N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1,3-benzothiazol-2-amine
CID 9017037
N-[(E)-1-(2-aminophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
CID 162655441
3-methyl-N-(1-pyridin-3-ylethylideneamino)quinoxalin-2-amine
CID 2866223
N-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine
CID 3249853
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
CID 9017093
4-(4-methoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine
CID 51032949
4-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinazolin-2-amine
CID 52509582
2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]-1H-pyridin-4-one
CID 145130276
3-[3-[N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]-1,3-oxazolidin-2-one
CID 126798842
N-[(Z)-4-phenylbutan-2-ylideneamino]-1,3-benzothiazol-2-amine
CID 9017097

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine (CID 4283631) is N-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine is CC(=NNc1nc2ccccc2s1)c1cccnc1.
What is the InChIKey of N-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine?
The InChIKey is JWMMGEBFIYWTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c1-10(11-5-4-8-15-9-11)17-18-14-16-12-6-2-3-7-13(12)19-14/h2-9H,1H3,(H,16,18).
What are the key properties of N-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine?
N-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine has a molecular weight of 268.35 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 4283631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).