1-(1H-indol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine

C19H15N3S — CID 137224330

IUPAC1-(1H-indol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine
SMILESCc1ccc(-c2csc(N=Cc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C19H15N3S/c1-13-6-8-14(9-7-13)18-12-23-19(22-18)21-11-15-10-20-17-5-3-2-4-16(15)17/h2-12,20H,1H3
InChIKeyKVEPKUQFWMDWPZ-UHFFFAOYSA-N
MW317.42 g/mol
LogP5.35
Rot. Bonds3

About 1-(1H-indol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine

1-(1H-indol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine (PubChem CID 137224330) has the molecular formula C19H15N3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine
PubChem CID137224330
Molecular FormulaC19H15N3S
Molecular Weight317.42 g/mol
Exact Mass317.10
IUPAC Name1-(1H-indol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine
SMILESCc1ccc(-c2csc(N=Cc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C19H15N3S/c1-13-6-8-14(9-7-13)18-12-23-19(22-18)21-11-15-10-20-17-5-3-2-4-16(15)17/h2-12,20H,1H3
InChIKeyKVEPKUQFWMDWPZ-UHFFFAOYSA-N
XLogP5.35
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.42
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanimine
CID 682586
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 135719316
4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine
CID 2788394
cobalt(2+);bis(2-[(E)-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]iminomethyl]-4-methylphenolate)
CID 53474180
zinc bis(2-[(E)-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]iminomethyl]-6-methylphenolate)
CID 53474272
N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine
CID 693741
bis(2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol);zinc
CID 135539792
nickel(2+);bis(2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate)
CID 170905301
(NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide
CID 136873762
1-(1H-indol-3-ylmethylideneamino)-3-(4-methylphenyl)thiourea
CID 910437
1-[(Z)-1H-indol-3-ylmethylideneamino]-3-(4-methylphenyl)thiourea
CID 135886399
2-(1H-indazol-3-yl)-4-(4-methylphenyl)-1,3-thiazole
CID 22259263

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine?
The IUPAC name of 1-(1H-indol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine (CID 137224330) is 1-(1H-indol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine.
What is the SMILES notation for 1-(1H-indol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine?
The canonical SMILES for 1-(1H-indol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine is Cc1ccc(-c2csc(N=Cc3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 1-(1H-indol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine?
The InChIKey is KVEPKUQFWMDWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S/c1-13-6-8-14(9-7-13)18-12-23-19(22-18)21-11-15-10-20-17-5-3-2-4-16(15)17/h2-12,20H,1H3.
What are the key properties of 1-(1H-indol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine?
1-(1H-indol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine has a molecular weight of 317.42 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine is sourced from PubChem (CID 137224330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).