N-(cyclohexylideneamino)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-thiazol-2-amine

C16H21N3S — CID 129273160

IUPACN-(cyclohexylideneamino)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-thiazol-2-amine
SMILESC=C/C=C(\C=C/C)c1csc(NN=C2CCCCC2)n1
InChIInChI=1S/C16H21N3S/c1-3-8-13(9-4-2)15-12-20-16(17-15)19-18-14-10-6-5-7-11-14/h3-4,8-9,12H,1,5-7,10-11H2,2H3,(H,17,19)/b9-4-,13-8+
InChIKeyKQNLSPJIQZZNDE-NTHABNPXSA-N
MW287.43 g/mol
LogP5.02
Rot. Bonds5

About N-(cyclohexylideneamino)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-thiazol-2-amine

N-(cyclohexylideneamino)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-thiazol-2-amine (PubChem CID 129273160) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-thiazol-2-amine
PubChem CID129273160
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-(cyclohexylideneamino)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-thiazol-2-amine
SMILESC=C/C=C(\C=C/C)c1csc(NN=C2CCCCC2)n1
InChIInChI=1S/C16H21N3S/c1-3-8-13(9-4-2)15-12-20-16(17-15)19-18-14-10-6-5-7-11-14/h3-4,8-9,12H,1,5-7,10-11H2,2H3,(H,17,19)/b9-4-,13-8+
InChIKeyKQNLSPJIQZZNDE-NTHABNPXSA-N
XLogP5.02
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.43
LogP ≤ 55.02
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;(4Z)-2-[[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-thiazol-2-yl]amino]-4-[(Z)-prop-1-enyl]hepta-4,6-dienoic acid;hydrate
CID 143885050
3-[2-(2-cyclohexylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one
CID 2851169
N-(cyclopentylideneamino)-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11404462
2-(1-cyclohexylpropan-2-yl)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylimidazole
CID 169211181
N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 153387397
butane;3-[[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-thiazol-2-yl]sulfanyl]-8-(hydroxymethylidene)-7-(methylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 171513114
4-(4-chlorophenyl)-N-[(Z)-(3-methylcyclohexylidene)amino]-1,3-thiazol-2-amine
CID 25193525
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-pyren-1-ylpyridine
CID 89197826
4-[2-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-thiazol-2-yl]-3-oxo-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-5-yl]benzonitrile
CID 174246123
N-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 19133250
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,5-dimethylimidazole
CID 130256315
1-buta-1,3-dien-2-yl-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene
CID 145073246

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclohexylideneamino)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-thiazol-2-amine (CID 129273160) is N-(cyclohexylideneamino)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclohexylideneamino)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclohexylideneamino)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-thiazol-2-amine is C=C/C=C(\C=C/C)c1csc(NN=C2CCCCC2)n1.
What is the InChIKey of N-(cyclohexylideneamino)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-thiazol-2-amine?
The InChIKey is KQNLSPJIQZZNDE-NTHABNPXSA-N. The full InChI is InChI=1S/C16H21N3S/c1-3-8-13(9-4-2)15-12-20-16(17-15)19-18-14-10-6-5-7-11-14/h3-4,8-9,12H,1,5-7,10-11H2,2H3,(H,17,19)/b9-4-,13-8+.
What are the key properties of N-(cyclohexylideneamino)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-thiazol-2-amine?
N-(cyclohexylideneamino)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-thiazol-2-amine has a molecular weight of 287.43 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 129273160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).