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

C16H18N4S — CID 110538665

IUPACN-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCCn1c(C)c(/C=N\Nc2nc(C)cs2)c2ccccc21
InChIInChI=1S/C16H18N4S/c1-4-20-12(3)14(13-7-5-6-8-15(13)20)9-17-19-16-18-11(2)10-21-16/h5-10H,4H2,1-3H3,(H,18,19)/b17-9-
InChIKeyXNEMCZUOAYGGTJ-MFOYZWKCSA-N
MW298.42 g/mol
LogP4.18
Rot. Bonds4

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

N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 110538665) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID110538665
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCCn1c(C)c(/C=N\Nc2nc(C)cs2)c2ccccc21
InChIInChI=1S/C16H18N4S/c1-4-20-12(3)14(13-7-5-6-8-15(13)20)9-17-19-16-18-11(2)10-21-16/h5-10H,4H2,1-3H3,(H,18,19)/b17-9-
InChIKeyXNEMCZUOAYGGTJ-MFOYZWKCSA-N
XLogP4.18
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 54.18
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

4-(2,4-dimethylphenyl)-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 110533181
N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 110535093
[(1-ethyl-2-methylindol-3-yl)methylideneamino]thiourea
CID 3642739
2-[(2Z)-2-[(1-ethyl-2-methylindol-3-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136788254
4-methyl-N-[(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2787296
N-[(2,6-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616905
1-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-3-phenylthiourea
CID 110508605
N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 126259376
4-(3,4-dimethoxyphenyl)-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 110532079
4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168616897
2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 110512126
2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 17245319

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 110538665) is N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is CCn1c(C)c(/C=N\Nc2nc(C)cs2)c2ccccc21.
What is the InChIKey of N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is XNEMCZUOAYGGTJ-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H18N4S/c1-4-20-12(3)14(13-7-5-6-8-15(13)20)9-17-19-16-18-11(2)10-21-16/h5-10H,4H2,1-3H3,(H,18,19)/b17-9-.
What are the key properties of N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 298.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 110538665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).