2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide

C19H25N3O2S — CID 9029885

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide
SMILESCCCCCOc1ccc(/C(C)=N\NC(=O)Cc2nc(C)cs2)cc1
InChIInChI=1S/C19H25N3O2S/c1-4-5-6-11-24-17-9-7-16(8-10-17)15(3)21-22-18(23)12-19-20-14(2)13-25-19/h7-10,13H,4-6,11-12H2,1-3H3,(H,22,23)/b21-15-
InChIKeyHWGIOTVFSDBUKI-QNGOZBTKSA-N
MW359.50 g/mol
LogP4.10
Rot. Bonds9

About 2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide

2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide (PubChem CID 9029885) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide
PubChem CID9029885
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide
SMILESCCCCCOc1ccc(/C(C)=N\NC(=O)Cc2nc(C)cs2)cc1
InChIInChI=1S/C19H25N3O2S/c1-4-5-6-11-24-17-9-7-16(8-10-17)15(3)21-22-18(23)12-19-20-14(2)13-25-19/h7-10,13H,4-6,11-12H2,1-3H3,(H,22,23)/b21-15-
InChIKeyHWGIOTVFSDBUKI-QNGOZBTKSA-N
XLogP4.10
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9028724
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029129
2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-[4-(propylsulfamoyl)phenyl]ethylideneamino]acetamide
CID 9030044
N'-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]oxamide
CID 9120798
N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide
CID 3694468
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-propoxyphenyl)ethylideneamino]acetamide
CID 78600372
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029099
N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029761
[(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea
CID 6242832
2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide
CID 8884023
N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9030122
N-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484487

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide (CID 9029885) is 2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide is CCCCCOc1ccc(/C(C)=N\NC(=O)Cc2nc(C)cs2)cc1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide?
The InChIKey is HWGIOTVFSDBUKI-QNGOZBTKSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-4-5-6-11-24-17-9-7-16(8-10-17)15(3)21-22-18(23)12-19-20-14(2)13-25-19/h7-10,13H,4-6,11-12H2,1-3H3,(H,22,23)/b21-15-.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide?
2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide has a molecular weight of 359.50 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 9029885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).