5-methyl-4-phenyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine

C18H17N3S — CID 21240024

IUPAC5-methyl-4-phenyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1ccccc1
InChIInChI=1S/C18H17N3S/c1-13(15-9-5-3-6-10-15)20-21-18-19-17(14(2)22-18)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,19,21)/b20-13+
InChIKeyJGIYDDIAVKHADI-DEDYPNTBSA-N
MW307.42 g/mol
LogP4.95
Rot. Bonds4

About 5-methyl-4-phenyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine

5-methyl-4-phenyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine (PubChem CID 21240024) has the molecular formula C18H17N3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 5-methyl-4-phenyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-4-phenyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine
PubChem CID21240024
Molecular FormulaC18H17N3S
Molecular Weight307.42 g/mol
Exact Mass307.11
IUPAC Name5-methyl-4-phenyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1ccccc1
InChIInChI=1S/C18H17N3S/c1-13(15-9-5-3-6-10-15)20-21-18-19-17(14(2)22-18)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,19,21)/b20-13+
InChIKeyJGIYDDIAVKHADI-DEDYPNTBSA-N
XLogP4.95
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4-phenylthiazole
CID 40302
2-Amino-4-phenyl-5-methylthiazole
CID 96129
2-Amino-4,5-diphenylthiazole
CID 73222
2-Amino-4-(4-biphenylyl)thiazole
CID 76075
4-(4-Ethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 854786
5-Methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 702265
2-Hydrazinyl-4-phenylthiazole
CID 98613
2-Thiazolamine, 5-ethyl-4-phenyl-
CID 147560
4-Methyl-5-phenyl-thiazol-2-ylamine
CID 244067
4-(4-Benzylphenyl)thiazol-2-amine
CID 3768902
2-(2-Cyclopentylidenehydrazinyl)-4-phenylthiazole
CID 584447
(E)-2-(2-(3, 4-difluorobenzylidene)hydrazinyl)-4-(4-(trifluoromethyl)phenyl)thiazole
CID 155542324

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-4-phenyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine (CID 21240024) is 5-methyl-4-phenyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-4-phenyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-4-phenyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine is C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is JGIYDDIAVKHADI-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H17N3S/c1-13(15-9-5-3-6-10-15)20-21-18-19-17(14(2)22-18)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,19,21)/b20-13+.
What are the key properties of 5-methyl-4-phenyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine?
5-methyl-4-phenyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 307.42 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 21240024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).