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

C21H17N3S — CID 90665494

IUPAC4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1
InChIInChI=1S/C21H17N3S/c1-15(16-7-3-2-4-8-16)23-24-21-22-20(14-25-21)19-12-11-17-9-5-6-10-18(17)13-19/h2-14H,1H3,(H,22,24)/b23-15+
InChIKeyJQUWWCHJKXMEPD-HZHRSRAPSA-N
MW343.46 g/mol
LogP5.80
Rot. Bonds4

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

4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine (PubChem CID 90665494) has the molecular formula C21H17N3S and a molecular weight of 343.46 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine
PubChem CID90665494
Molecular FormulaC21H17N3S
Molecular Weight343.46 g/mol
Exact Mass343.11
IUPAC Name4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1
InChIInChI=1S/C21H17N3S/c1-15(16-7-3-2-4-8-16)23-24-21-22-20(14-25-21)19-12-11-17-9-5-6-10-18(17)13-19/h2-14H,1H3,(H,22,24)/b23-15+
InChIKeyJQUWWCHJKXMEPD-HZHRSRAPSA-N
XLogP5.80
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.46
LogP ≤ 55.80
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-[1-(4-aminophenyl)ethylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 78614568
4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 71540248
4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 5333462
N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 139236117
N-[(E)-hexan-2-ylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 21235992
3-[(E)-C-methyl-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]carbonimidoyl]chromen-2-one
CID 90666203
4-naphthalen-2-yl-N-[(Z)-octan-2-ylideneamino]-1,3-thiazol-2-amine
CID 90665470
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3136866
4-(4-methylphenyl)-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 17368289
4-[C-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]carbonimidoyl]phenol
CID 4232846
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
4-(4-methoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine
CID 51032949

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine (CID 90665494) is 4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine is C/C(=N\Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1.
What is the InChIKey of 4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is JQUWWCHJKXMEPD-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H17N3S/c1-15(16-7-3-2-4-8-16)23-24-21-22-20(14-25-21)19-12-11-17-9-5-6-10-18(17)13-19/h2-14H,1H3,(H,22,24)/b23-15+.
What are the key properties of 4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine?
4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 343.46 g/mol, XLogP of 5.80, 4 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-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 90665494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).