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

C16H20N4O4S — CID 110510201

IUPAC2-amino-N-[(Z)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1c(OC)cc(/C=N\NC(=O)c2sc(N)nc2C)cc1OC
InChIInChI=1S/C16H20N4O4S/c1-5-24-13-11(22-3)6-10(7-12(13)23-4)8-18-20-15(21)14-9(2)19-16(17)25-14/h6-8H,5H2,1-4H3,(H2,17,19)(H,20,21)/b18-8-
InChIKeySFUBCKRFOGYWEN-LSCVHKIXSA-N
MW364.43 g/mol
LogP2.21
Rot. Bonds7

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

2-amino-N-[(Z)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 110510201) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-amino-N-[(Z)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID110510201
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name2-amino-N-[(Z)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1c(OC)cc(/C=N\NC(=O)c2sc(N)nc2C)cc1OC
InChIInChI=1S/C16H20N4O4S/c1-5-24-13-11(22-3)6-10(7-12(13)23-4)8-18-20-15(21)14-9(2)19-16(17)25-14/h6-8H,5H2,1-4H3,(H2,17,19)(H,20,21)/b18-8-
InChIKeySFUBCKRFOGYWEN-LSCVHKIXSA-N
XLogP2.21
TPSA108.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.21
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)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510273
2-amino-4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
CID 5435424
2-amino-N-[(Z)-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510231
2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 7240387
2-amino-N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 5398570
2-amino-N-[(Z)-(3-bromo-4-propoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510256
2-amino-N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510285
2-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 136702168
2-amino-N-[(Z)-(4-butoxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 110511371
2-amino-4-methyl-N-[(3-methylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
CID 727684
2-amino-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 135716646
2-amino-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 136787353

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(Z)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (CID 110510201) is 2-amino-N-[(Z)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(Z)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(Z)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is CCOc1c(OC)cc(/C=N\NC(=O)c2sc(N)nc2C)cc1OC.
What is the InChIKey of 2-amino-N-[(Z)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is SFUBCKRFOGYWEN-LSCVHKIXSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-5-24-13-11(22-3)6-10(7-12(13)23-4)8-18-20-15(21)14-9(2)19-16(17)25-14/h6-8H,5H2,1-4H3,(H2,17,19)(H,20,21)/b18-8-.
What are the key properties of 2-amino-N-[(Z)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[(Z)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110510201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).