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

C15H18N4O4S — CID 5435424

IUPAC2-amino-4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2sc(N)nc2C)cc(OC)c1OC
InChIInChI=1S/C15H18N4O4S/c1-8-13(24-15(16)18-8)14(20)19-17-7-9-5-10(21-2)12(23-4)11(6-9)22-3/h5-7H,1-4H3,(H2,16,18)(H,19,20)/b17-7-
InChIKeyJANVEQMYWYPFNU-IDUWFGFVSA-N
MW350.40 g/mol
LogP1.82
Rot. Bonds6

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

2-amino-4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide (PubChem CID 5435424) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
PubChem CID5435424
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name2-amino-4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2sc(N)nc2C)cc(OC)c1OC
InChIInChI=1S/C15H18N4O4S/c1-8-13(24-15(16)18-8)14(20)19-17-7-9-5-10(21-2)12(23-4)11(6-9)22-3/h5-7H,1-4H3,(H2,16,18)(H,19,20)/b17-7-
InChIKeyJANVEQMYWYPFNU-IDUWFGFVSA-N
XLogP1.82
TPSA108.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[(Z)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510201
2-amino-N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510273
2-amino-N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 5398570
2-amino-N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510285
2-amino-N-[(Z)-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510231
2-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 136702168
2-amino-4-methyl-N-[(3-methylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
CID 727684
2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide
CID 5398429
1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 92856854
2-amino-N-[(Z)-(3-bromo-4-propoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510256
4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 769086
4-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)hydrazinylidene]methyl]-2-nitrophenolate
CID 7894601

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide (CID 5435424) is 2-amino-4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide is COc1cc(/C=N\NC(=O)c2sc(N)nc2C)cc(OC)c1OC.
What is the InChIKey of 2-amino-4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
The InChIKey is JANVEQMYWYPFNU-IDUWFGFVSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-8-13(24-15(16)18-8)14(20)19-17-7-9-5-10(21-2)12(23-4)11(6-9)22-3/h5-7H,1-4H3,(H2,16,18)(H,19,20)/b17-7-.
What are the key properties of 2-amino-4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 5435424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).