4-naphthalen-2-yl-N-[(Z)-octan-2-ylideneamino]-1,3-thiazol-2-amine

C21H25N3S — CID 90665470

IUPAC4-naphthalen-2-yl-N-[(Z)-octan-2-ylideneamino]-1,3-thiazol-2-amine
SMILESCCCCCC/C(C)=N\Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C21H25N3S/c1-3-4-5-6-9-16(2)23-24-21-22-20(15-25-21)19-13-12-17-10-7-8-11-18(17)14-19/h7-8,10-15H,3-6,9H2,1-2H3,(H,22,24)/b23-16-
InChIKeyBJDVFBRSKDBQHH-KQWNVCNZSA-N
MW351.52 g/mol
LogP6.72
Rot. Bonds8

About 4-naphthalen-2-yl-N-[(Z)-octan-2-ylideneamino]-1,3-thiazol-2-amine

4-naphthalen-2-yl-N-[(Z)-octan-2-ylideneamino]-1,3-thiazol-2-amine (PubChem CID 90665470) has the molecular formula C21H25N3S and a molecular weight of 351.52 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-[(Z)-octan-2-ylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-[(Z)-octan-2-ylideneamino]-1,3-thiazol-2-amine
PubChem CID90665470
Molecular FormulaC21H25N3S
Molecular Weight351.52 g/mol
Exact Mass351.18
IUPAC Name4-naphthalen-2-yl-N-[(Z)-octan-2-ylideneamino]-1,3-thiazol-2-amine
SMILESCCCCCC/C(C)=N\Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C21H25N3S/c1-3-4-5-6-9-16(2)23-24-21-22-20(15-25-21)19-13-12-17-10-7-8-11-18(17)14-19/h7-8,10-15H,3-6,9H2,1-2H3,(H,22,24)/b23-16-
InChIKeyBJDVFBRSKDBQHH-KQWNVCNZSA-N
XLogP6.72
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.52
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-hexan-2-ylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 21235992
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide
CID 108733431
4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine
CID 90665494
3-[2-[(2E)-2-octan-2-ylidenehydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 50900385
4-(2,4-dichlorophenyl)-N-[(E)-heptan-2-ylideneamino]-1,3-thiazol-2-amine
CID 71739546
N-[1-(4-aminophenyl)ethylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 78614568
butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate
CID 108733444
3-[(E)-C-methyl-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]carbonimidoyl]chromen-2-one
CID 90666203
1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea
CID 108781601
2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide
CID 110441776
4-(4-methoxyphenyl)-N-[(Z)-1-phenylpropan-2-ylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 172886714
3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 3524855

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-[(Z)-octan-2-ylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-naphthalen-2-yl-N-[(Z)-octan-2-ylideneamino]-1,3-thiazol-2-amine (CID 90665470) is 4-naphthalen-2-yl-N-[(Z)-octan-2-ylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-naphthalen-2-yl-N-[(Z)-octan-2-ylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-naphthalen-2-yl-N-[(Z)-octan-2-ylideneamino]-1,3-thiazol-2-amine is CCCCCC/C(C)=N\Nc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of 4-naphthalen-2-yl-N-[(Z)-octan-2-ylideneamino]-1,3-thiazol-2-amine?
The InChIKey is BJDVFBRSKDBQHH-KQWNVCNZSA-N. The full InChI is InChI=1S/C21H25N3S/c1-3-4-5-6-9-16(2)23-24-21-22-20(15-25-21)19-13-12-17-10-7-8-11-18(17)14-19/h7-8,10-15H,3-6,9H2,1-2H3,(H,22,24)/b23-16-.
What are the key properties of 4-naphthalen-2-yl-N-[(Z)-octan-2-ylideneamino]-1,3-thiazol-2-amine?
4-naphthalen-2-yl-N-[(Z)-octan-2-ylideneamino]-1,3-thiazol-2-amine has a molecular weight of 351.52 g/mol, XLogP of 6.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-N-[(Z)-octan-2-ylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 90665470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).