N-(benzylideneamino)-4-tert-butyl-1,3-thiazol-2-amine

C14H17N3S — CID 2880844

IUPACN-(benzylideneamino)-4-tert-butyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(NN=Cc2ccccc2)n1
InChIInChI=1S/C14H17N3S/c1-14(2,3)12-10-18-13(16-12)17-15-9-11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,17)
InChIKeyJFIXCDMDHLVTGL-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.89
Rot. Bonds3

About N-(benzylideneamino)-4-tert-butyl-1,3-thiazol-2-amine

N-(benzylideneamino)-4-tert-butyl-1,3-thiazol-2-amine (PubChem CID 2880844) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-(benzylideneamino)-4-tert-butyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(benzylideneamino)-4-tert-butyl-1,3-thiazol-2-amine
PubChem CID2880844
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-(benzylideneamino)-4-tert-butyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(NN=Cc2ccccc2)n1
InChIInChI=1S/C14H17N3S/c1-14(2,3)12-10-18-13(16-12)17-15-9-11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,17)
InChIKeyJFIXCDMDHLVTGL-UHFFFAOYSA-N
XLogP3.89
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.89
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

3-[[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 3422737
N-[(E)-benzylideneamino]-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11393768
2-[2-[(2E)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]acetohydrazide
CID 39912007
4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168616897
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 2861258
4-tert-butyl-N-[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzenesulfonamide
CID 168578607
N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579078
N-[(3-methylsulfanylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577310
2-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627876
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]boronic acid
CID 168576674
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-4-tert-butyl-1,3-thiazol-2-amine?
The IUPAC name of N-(benzylideneamino)-4-tert-butyl-1,3-thiazol-2-amine (CID 2880844) is N-(benzylideneamino)-4-tert-butyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(benzylideneamino)-4-tert-butyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(benzylideneamino)-4-tert-butyl-1,3-thiazol-2-amine is CC(C)(C)c1csc(NN=Cc2ccccc2)n1.
What is the InChIKey of N-(benzylideneamino)-4-tert-butyl-1,3-thiazol-2-amine?
The InChIKey is JFIXCDMDHLVTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-14(2,3)12-10-18-13(16-12)17-15-9-11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,17).
What are the key properties of N-(benzylideneamino)-4-tert-butyl-1,3-thiazol-2-amine?
N-(benzylideneamino)-4-tert-butyl-1,3-thiazol-2-amine has a molecular weight of 259.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-4-tert-butyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2880844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).