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

C19H21N3S — CID 21235992

IUPACN-[(E)-hexan-2-ylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine
SMILESCCCC/C(C)=N/Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C19H21N3S/c1-3-4-7-14(2)21-22-19-20-18(13-23-19)17-11-10-15-8-5-6-9-16(15)12-17/h5-6,8-13H,3-4,7H2,1-2H3,(H,20,22)/b21-14+
InChIKeyISOINTSXLDUGCI-KGENOOAVSA-N
MW323.47 g/mol
LogP5.94
Rot. Bonds6

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

N-[(E)-hexan-2-ylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine (PubChem CID 21235992) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is N-[(E)-hexan-2-ylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-hexan-2-ylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine
PubChem CID21235992
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC NameN-[(E)-hexan-2-ylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine
SMILESCCCC/C(C)=N/Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C19H21N3S/c1-3-4-7-14(2)21-22-19-20-18(13-23-19)17-11-10-15-8-5-6-9-16(15)12-17/h5-6,8-13H,3-4,7H2,1-2H3,(H,20,22)/b21-14+
InChIKeyISOINTSXLDUGCI-KGENOOAVSA-N
XLogP5.94
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.47
LogP ≤ 55.94
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

4-naphthalen-2-yl-N-[(Z)-octan-2-ylideneamino]-1,3-thiazol-2-amine
CID 90665470
4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine
CID 90665494
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide
CID 108733431
N-[1-(4-aminophenyl)ethylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 78614568
1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea
CID 108781601
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
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
2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide
CID 110441776
N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide
CID 17100090
4-(4-methoxyphenyl)-N-[(Z)-1-phenylpropan-2-ylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 172886714

Frequently Asked Questions

What is the IUPAC name of N-[(E)-hexan-2-ylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-hexan-2-ylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine (CID 21235992) is N-[(E)-hexan-2-ylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-hexan-2-ylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-hexan-2-ylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine is CCCC/C(C)=N/Nc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of N-[(E)-hexan-2-ylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine?
The InChIKey is ISOINTSXLDUGCI-KGENOOAVSA-N. The full InChI is InChI=1S/C19H21N3S/c1-3-4-7-14(2)21-22-19-20-18(13-23-19)17-11-10-15-8-5-6-9-16(15)12-17/h5-6,8-13H,3-4,7H2,1-2H3,(H,20,22)/b21-14+.
What are the key properties of N-[(E)-hexan-2-ylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine?
N-[(E)-hexan-2-ylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine has a molecular weight of 323.47 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hexan-2-ylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 21235992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).