2-amino-4-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide

C19H18N4OS — CID 20997820

IUPAC2-amino-4-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide
SMILESC/C(=N/NC(=O)c1sc(N)nc1C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H18N4OS/c1-12(22-23-18(24)17-13(2)21-19(20)25-17)14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,20,21)(H,23,24)/b22-12-
InChIKeyBHYIBPHTBSNNAN-UUYOSTAYSA-N
MW350.45 g/mol
LogP3.85
Rot. Bonds4

About 2-amino-4-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide

2-amino-4-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide (PubChem CID 20997820) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide
PubChem CID20997820
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name2-amino-4-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide
SMILESC/C(=N/NC(=O)c1sc(N)nc1C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H18N4OS/c1-12(22-23-18(24)17-13(2)21-19(20)25-17)14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,20,21)(H,23,24)/b22-12-
InChIKeyBHYIBPHTBSNNAN-UUYOSTAYSA-N
XLogP3.85
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-N-[1-(4-chlorophenyl)ethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 3145256
2-amino-4-methyl-N-[1-(4-piperidin-1-ylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide
CID 71899022
2-amino-N-(1-benzo[e][1]benzofuran-2-ylethylideneamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 71899021
2-amino-N-[(E)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 97002774
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 4588942
4-methyl-N-[(E)-1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]-2-phenyl-1,3-thiazole-5-carboxamide
CID 97002830
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6271545
2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 1136936
2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79101089
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide (CID 20997820) is 2-amino-4-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide is C/C(=N/NC(=O)c1sc(N)nc1C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-amino-4-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide?
The InChIKey is BHYIBPHTBSNNAN-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-12(22-23-18(24)17-13(2)21-19(20)25-17)14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,20,21)(H,23,24)/b22-12-.
What are the key properties of 2-amino-4-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide has a molecular weight of 350.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 20997820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).