N-[1-(4-aminophenyl)ethylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine

C21H18N4S — CID 78614568

IUPACN-[1-(4-aminophenyl)ethylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine
SMILESCC(=NNc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(N)cc1
InChIInChI=1S/C21H18N4S/c1-14(15-8-10-19(22)11-9-15)24-25-21-23-20(13-26-21)18-7-6-16-4-2-3-5-17(16)12-18/h2-13H,22H2,1H3,(H,23,25)
InChIKeyYOENRRNRHWQDLH-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.38
Rot. Bonds4

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

N-[1-(4-aminophenyl)ethylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine (PubChem CID 78614568) has the molecular formula C21H18N4S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine
PubChem CID78614568
Molecular FormulaC21H18N4S
Molecular Weight358.47 g/mol
Exact Mass358.13
IUPAC NameN-[1-(4-aminophenyl)ethylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine
SMILESCC(=NNc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(N)cc1
InChIInChI=1S/C21H18N4S/c1-14(15-8-10-19(22)11-9-15)24-25-21-23-20(13-26-21)18-7-6-16-4-2-3-5-17(16)12-18/h2-13H,22H2,1H3,(H,23,25)
InChIKeyYOENRRNRHWQDLH-UHFFFAOYSA-N
XLogP5.38
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine
CID 90665494
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
3-[(E)-C-methyl-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]carbonimidoyl]chromen-2-one
CID 90666203
N-[(E)-hexan-2-ylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 21235992
4-[C-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]carbonimidoyl]phenol
CID 4232846
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-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 71540248
4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 90484377
4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 90484602
4-(4-methylphenyl)-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 17368289

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(4-aminophenyl)ethylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine (CID 78614568) is N-[1-(4-aminophenyl)ethylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(4-aminophenyl)ethylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(4-aminophenyl)ethylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine is CC(=NNc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine?
The InChIKey is YOENRRNRHWQDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4S/c1-14(15-8-10-19(22)11-9-15)24-25-21-23-20(13-26-21)18-7-6-16-4-2-3-5-17(16)12-18/h2-13H,22H2,1H3,(H,23,25).
What are the key properties of N-[1-(4-aminophenyl)ethylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine?
N-[1-(4-aminophenyl)ethylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine has a molecular weight of 358.47 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 78614568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).