N-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C19H16N4S — CID 74220639

IUPACN-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCn1cc(/C=N/Nc2nc(-c3ccccc3)cs2)c2ccccc21
InChIInChI=1S/C19H16N4S/c1-23-12-15(16-9-5-6-10-18(16)23)11-20-22-19-21-17(13-24-19)14-7-3-2-4-8-14/h2-13H,1H3,(H,21,22)/b20-11+
InChIKeyLGEXCGIPDYXUPE-RGVLZGJSSA-N
MW332.43 g/mol
LogP4.75
Rot. Bonds4

About N-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 74220639) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID74220639
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC NameN-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCn1cc(/C=N/Nc2nc(-c3ccccc3)cs2)c2ccccc21
InChIInChI=1S/C19H16N4S/c1-23-12-15(16-9-5-6-10-18(16)23)11-20-22-19-21-17(13-24-19)14-7-3-2-4-8-14/h2-13H,1H3,(H,21,22)/b20-11+
InChIKeyLGEXCGIPDYXUPE-RGVLZGJSSA-N
XLogP4.75
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_A(11)', '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-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 110536077
4-(4-chlorophenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 110534611
4-(4-chlorophenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 110533680
N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
CID 40562842
N-[(3-methylbenzimidazol-5-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579299
2-methyl-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 137099417
N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 110535093
N-[(2,4-difluoro-3-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577365
N-[(1-benzylindol-3-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 4288083
4-(3-fluorophenyl)-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 155539204
N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578465
N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 74220639) is N-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is Cn1cc(/C=N/Nc2nc(-c3ccccc3)cs2)c2ccccc21.
What is the InChIKey of N-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is LGEXCGIPDYXUPE-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H16N4S/c1-23-12-15(16-9-5-6-10-18(16)23)11-20-22-19-21-17(13-24-19)14-7-3-2-4-8-14/h2-13H,1H3,(H,21,22)/b20-11+.
What are the key properties of N-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 332.43 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 74220639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).