4-phenyl-N-[(E)-1-quinoxalin-2-ylethylideneamino]-1,3-thiazol-2-amine

C19H15N5S — CID 43835823

IUPAC4-phenyl-N-[(E)-1-quinoxalin-2-ylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccccc2)cs1)c1cnc2ccccc2n1
InChIInChI=1S/C19H15N5S/c1-13(17-11-20-15-9-5-6-10-16(15)21-17)23-24-19-22-18(12-25-19)14-7-3-2-4-8-14/h2-12H,1H3,(H,22,24)/b23-13+
InChIKeyVREQKRNHJYOANA-YDZHTSKRSA-N
MW345.43 g/mol
LogP4.59
Rot. Bonds4

About 4-phenyl-N-[(E)-1-quinoxalin-2-ylethylideneamino]-1,3-thiazol-2-amine

4-phenyl-N-[(E)-1-quinoxalin-2-ylethylideneamino]-1,3-thiazol-2-amine (PubChem CID 43835823) has the molecular formula C19H15N5S and a molecular weight of 345.43 g/mol. Its IUPAC name is 4-phenyl-N-[(E)-1-quinoxalin-2-ylethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-[(E)-1-quinoxalin-2-ylethylideneamino]-1,3-thiazol-2-amine
PubChem CID43835823
Molecular FormulaC19H15N5S
Molecular Weight345.43 g/mol
Exact Mass345.10
IUPAC Name4-phenyl-N-[(E)-1-quinoxalin-2-ylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccccc2)cs1)c1cnc2ccccc2n1
InChIInChI=1S/C19H15N5S/c1-13(17-11-20-15-9-5-6-10-16(15)21-17)23-24-19-22-18(12-25-19)14-7-3-2-4-8-14/h2-12H,1H3,(H,22,24)/b23-13+
InChIKeyVREQKRNHJYOANA-YDZHTSKRSA-N
XLogP4.59
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[(E)-C-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]benzene-1,3,5-triol
CID 136627447
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3136866
N-(1-quinoxalin-2-ylethylideneamino)acetamide
CID 74516260
4-phenyl-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine
CID 2875908
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-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]quinoxaline-2-carboxamide
CID 8023461
4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine
CID 90665494
4-[C-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]carbonimidoyl]phenol
CID 4232846
ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate
CID 13157648
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 4-phenyl-N-[(E)-1-quinoxalin-2-ylethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-[(E)-1-quinoxalin-2-ylethylideneamino]-1,3-thiazol-2-amine (CID 43835823) is 4-phenyl-N-[(E)-1-quinoxalin-2-ylethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-[(E)-1-quinoxalin-2-ylethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-[(E)-1-quinoxalin-2-ylethylideneamino]-1,3-thiazol-2-amine is C/C(=N\Nc1nc(-c2ccccc2)cs1)c1cnc2ccccc2n1.
What is the InChIKey of 4-phenyl-N-[(E)-1-quinoxalin-2-ylethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is VREQKRNHJYOANA-YDZHTSKRSA-N. The full InChI is InChI=1S/C19H15N5S/c1-13(17-11-20-15-9-5-6-10-16(15)21-17)23-24-19-22-18(12-25-19)14-7-3-2-4-8-14/h2-12H,1H3,(H,22,24)/b23-13+.
What are the key properties of 4-phenyl-N-[(E)-1-quinoxalin-2-ylethylideneamino]-1,3-thiazol-2-amine?
4-phenyl-N-[(E)-1-quinoxalin-2-ylethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 345.43 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(E)-1-quinoxalin-2-ylethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 43835823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).