2-amino-N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide

C19H26N4O3S — CID 110511360

IUPAC2-amino-N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
SMILESCCCCOc1ccc(/C=N\NC(=O)c2sc(N)nc2CC)cc1OCC
InChIInChI=1S/C19H26N4O3S/c1-4-7-10-26-15-9-8-13(11-16(15)25-6-3)12-21-23-18(24)17-14(5-2)22-19(20)27-17/h8-9,11-12H,4-7,10H2,1-3H3,(H2,20,22)(H,23,24)/b21-12-
InChIKeyXTSFYHAJGYJEGJ-MTJSOVHGSA-N
MW390.51 g/mol
LogP3.63
Rot. Bonds10

About 2-amino-N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide

2-amino-N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 110511360) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-amino-N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
PubChem CID110511360
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name2-amino-N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
SMILESCCCCOc1ccc(/C=N\NC(=O)c2sc(N)nc2CC)cc1OCC
InChIInChI=1S/C19H26N4O3S/c1-4-7-10-26-15-9-8-13(11-16(15)25-6-3)12-21-23-18(24)17-14(5-2)22-19(20)27-17/h8-9,11-12H,4-7,10H2,1-3H3,(H2,20,22)(H,23,24)/b21-12-
InChIKeyXTSFYHAJGYJEGJ-MTJSOVHGSA-N
XLogP3.63
TPSA98.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

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
[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea
CID 7832387
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110339897
2-amino-N-[(Z)-(4-butoxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 110511371
2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide
CID 110339969
[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea
CID 112538734
2-amino-N-[(Z)-(3-bromo-4-propoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510256
[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110535880
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]acetamide
CID 110339962
4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 9071275
N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505837

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide (CID 110511360) is 2-amino-N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide is CCCCOc1ccc(/C=N\NC(=O)c2sc(N)nc2CC)cc1OCC.
What is the InChIKey of 2-amino-N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is XTSFYHAJGYJEGJ-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-4-7-10-26-15-9-8-13(11-16(15)25-6-3)12-21-23-18(24)17-14(5-2)22-19(20)27-17/h8-9,11-12H,4-7,10H2,1-3H3,(H2,20,22)(H,23,24)/b21-12-.
What are the key properties of 2-amino-N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide?
2-amino-N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 3.63, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110511360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).