N-(1,3-dihydroinden-2-ylideneamino)-1,3-benzothiazol-2-amine

C16H13N3S — CID 9017158

IUPACN-(1,3-dihydroinden-2-ylideneamino)-1,3-benzothiazol-2-amine
SMILESc1ccc2c(c1)CC(=NNc1nc3ccccc3s1)C2
InChIInChI=1S/C16H13N3S/c1-2-6-12-10-13(9-11(12)5-1)18-19-16-17-14-7-3-4-8-15(14)20-16/h1-8H,9-10H2,(H,17,19)
InChIKeyJMIZZLWCNKWBJI-UHFFFAOYSA-N
MW279.37 g/mol
LogP3.86
Rot. Bonds2

About N-(1,3-dihydroinden-2-ylideneamino)-1,3-benzothiazol-2-amine

N-(1,3-dihydroinden-2-ylideneamino)-1,3-benzothiazol-2-amine (PubChem CID 9017158) has the molecular formula C16H13N3S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(1,3-dihydroinden-2-ylideneamino)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(1,3-dihydroinden-2-ylideneamino)-1,3-benzothiazol-2-amine
PubChem CID9017158
Molecular FormulaC16H13N3S
Molecular Weight279.37 g/mol
Exact Mass279.08
IUPAC NameN-(1,3-dihydroinden-2-ylideneamino)-1,3-benzothiazol-2-amine
SMILESc1ccc2c(c1)CC(=NNc1nc3ccccc3s1)C2
InChIInChI=1S/C16H13N3S/c1-2-6-12-10-13(9-11(12)5-1)18-19-16-17-14-7-3-4-8-15(14)20-16/h1-8H,9-10H2,(H,17,19)
InChIKeyJMIZZLWCNKWBJI-UHFFFAOYSA-N
XLogP3.86
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(cyclopentylideneamino)-1,3-benzothiazol-2-amine
CID 4309192
(3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)cyclopentan-1-one
CID 6521588
N-[(4-tert-butylcyclohexylidene)amino]-1,3-benzothiazol-2-amine
CID 4219871
(2Z)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-hydroxy-3H-inden-1-one
CID 167483037
(2Z)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-bromo-3H-inden-1-one
CID 167483085
N-(6-bicyclo[3.2.0]hept-3-enylideneamino)-1,3-benzothiazol-2-amine
CID 4562725
3-(1,3-benzothiazol-2-ylhydrazinylidene)propane-1,2-diol
CID 2849227
(2Z)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-6-(diethylamino)-3H-inden-1-one
CID 167483103
N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine
CID 6436791
4-[N-(1,3-benzothiazol-2-ylamino)-C-ethylcarbonimidoyl]phenol
CID 3270340
N-[(Z)-4-phenylbutan-2-ylideneamino]-1,3-benzothiazol-2-amine
CID 9017097
6-[(1E)-1-(1,3-benzothiazol-2-ylhydrazinylidene)-2,3-dihydroinden-4-yl]pyridine-2-carboxylic acid
CID 71747851

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroinden-2-ylideneamino)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(1,3-dihydroinden-2-ylideneamino)-1,3-benzothiazol-2-amine (CID 9017158) is N-(1,3-dihydroinden-2-ylideneamino)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(1,3-dihydroinden-2-ylideneamino)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(1,3-dihydroinden-2-ylideneamino)-1,3-benzothiazol-2-amine is c1ccc2c(c1)CC(=NNc1nc3ccccc3s1)C2.
What is the InChIKey of N-(1,3-dihydroinden-2-ylideneamino)-1,3-benzothiazol-2-amine?
The InChIKey is JMIZZLWCNKWBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3S/c1-2-6-12-10-13(9-11(12)5-1)18-19-16-17-14-7-3-4-8-15(14)20-16/h1-8H,9-10H2,(H,17,19).
What are the key properties of N-(1,3-dihydroinden-2-ylideneamino)-1,3-benzothiazol-2-amine?
N-(1,3-dihydroinden-2-ylideneamino)-1,3-benzothiazol-2-amine has a molecular weight of 279.37 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroinden-2-ylideneamino)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 9017158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).