4-(2,4-dimethylphenyl)-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine

C23H24N4S — CID 110533181

IUPAC4-(2,4-dimethylphenyl)-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESCCn1c(C)c(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)c2ccccc21
InChIInChI=1S/C23H24N4S/c1-5-27-17(4)20(19-8-6-7-9-22(19)27)13-24-26-23-25-21(14-28-23)18-11-10-15(2)12-16(18)3/h6-14H,5H2,1-4H3,(H,25,26)/b24-13-
InChIKeySPOCIWYRFXNAIT-CFRMEGHHSA-N
MW388.54 g/mol
LogP6.16
Rot. Bonds5

About 4-(2,4-dimethylphenyl)-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine

4-(2,4-dimethylphenyl)-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 110533181) has the molecular formula C23H24N4S and a molecular weight of 388.54 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID110533181
Molecular FormulaC23H24N4S
Molecular Weight388.54 g/mol
Exact Mass388.17
IUPAC Name4-(2,4-dimethylphenyl)-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESCCn1c(C)c(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)c2ccccc21
InChIInChI=1S/C23H24N4S/c1-5-27-17(4)20(19-8-6-7-9-22(19)27)13-24-26-23-25-21(14-28-23)18-11-10-15(2)12-16(18)3/h6-14H,5H2,1-4H3,(H,25,26)/b24-13-
InChIKeySPOCIWYRFXNAIT-CFRMEGHHSA-N
XLogP6.16
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 56.16
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-ethyl-2-methylindol-3-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 110538665
N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 110535093
4-(2,4-dimethylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 110537943
4-(2,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine
CID 110538193
N-[(Z)-(4-bromophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110533320
3-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 110537464
4-(2,4-dimethylphenyl)-N-[(E)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine bromide
CID 21203586
4-(2,4-dimethylphenyl)-N-[(Z)-(3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110534703
4-(3,4-dimethoxyphenyl)-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 110532079
N-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110530035
2-[(2Z)-2-[(1-ethyl-2-methylindol-3-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136788254
4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 136822056

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethylphenyl)-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine (CID 110533181) is 4-(2,4-dimethylphenyl)-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethylphenyl)-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine is CCn1c(C)c(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)c2ccccc21.
What is the InChIKey of 4-(2,4-dimethylphenyl)-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is SPOCIWYRFXNAIT-CFRMEGHHSA-N. The full InChI is InChI=1S/C23H24N4S/c1-5-27-17(4)20(19-8-6-7-9-22(19)27)13-24-26-23-25-21(14-28-23)18-11-10-15(2)12-16(18)3/h6-14H,5H2,1-4H3,(H,25,26)/b24-13-.
What are the key properties of 4-(2,4-dimethylphenyl)-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine?
4-(2,4-dimethylphenyl)-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 388.54 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 110533181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).