N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine

C19H16N4S — CID 135719316

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(N/N=C/c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C19H16N4S/c1-13-6-8-14(9-7-13)18-12-24-19(22-18)23-21-11-15-10-20-17-5-3-2-4-16(15)17/h2-12,20H,1H3,(H,22,23)/b21-11+
InChIKeyCOUPLIHRDNQQQT-SRZZPIQSSA-N
MW332.43 g/mol
LogP5.05
Rot. Bonds4

About N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine

N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 135719316) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID135719316
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(N/N=C/c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C19H16N4S/c1-13-6-8-14(9-7-13)18-12-24-19(22-18)23-21-11-15-10-20-17-5-3-2-4-16(15)17/h2-12,20H,1H3,(H,22,23)/b21-11+
InChIKeyCOUPLIHRDNQQQT-SRZZPIQSSA-N
XLogP5.05
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine
CID 2788394
1-(1H-indol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine
CID 137224330
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 110536077
3-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 171979289
4-(4-fluorophenyl)-N-[(Z)-(2-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 42459700
N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 135719318
N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 110535093
4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6004442
N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
CID 40562842
4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 6308176
4-(3,4-dimethylphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 136781941
4-(4-fluorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6107922

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine (CID 135719316) is N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine is Cc1ccc(-c2csc(N/N=C/c3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is COUPLIHRDNQQQT-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H16N4S/c1-13-6-8-14(9-7-13)18-12-24-19(22-18)23-21-11-15-10-20-17-5-3-2-4-16(15)17/h2-12,20H,1H3,(H,22,23)/b21-11+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 332.43 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 135719316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).