2,4-dimethyl-N-[(E)-(3-pentoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide

C18H23N3O2S — CID 110340499

IUPAC2,4-dimethyl-N-[(E)-(3-pentoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
SMILESCCCCCOc1cccc(/C=N/NC(=O)c2sc(C)nc2C)c1
InChIInChI=1S/C18H23N3O2S/c1-4-5-6-10-23-16-9-7-8-15(11-16)12-19-21-18(22)17-13(2)20-14(3)24-17/h7-9,11-12H,4-6,10H2,1-3H3,(H,21,22)/b19-12+
InChIKeyNIDQYFQYFJCDCP-XDHOZWIPSA-N
MW345.47 g/mol
LogP4.09
Rot. Bonds8

About 2,4-dimethyl-N-[(E)-(3-pentoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[(E)-(3-pentoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide (PubChem CID 110340499) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(E)-(3-pentoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(E)-(3-pentoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
PubChem CID110340499
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2,4-dimethyl-N-[(E)-(3-pentoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
SMILESCCCCCOc1cccc(/C=N/NC(=O)c2sc(C)nc2C)c1
InChIInChI=1S/C18H23N3O2S/c1-4-5-6-10-23-16-9-7-8-15(11-16)12-19-21-18(22)17-13(2)20-14(3)24-17/h7-9,11-12H,4-6,10H2,1-3H3,(H,21,22)/b19-12+
InChIKeyNIDQYFQYFJCDCP-XDHOZWIPSA-N
XLogP4.09
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.09
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-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110340632
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110339897
2-amino-N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 5398570
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110337729
N-[(E)-(3-butoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 110340461
ethyl 4-methyl-2-[(2Z)-2-[(3-propoxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 27275305
2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 19061075
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 136732798
2-N,5-N-bis[(Z)-benzylideneamino]-3,4-diheptoxythiophene-2,5-dicarboxamide
CID 44517027
2-N,5-N-bis[(E)-benzylideneamino]-3,4-diheptoxythiophene-2,5-dicarboxamide
CID 45484478
N-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110339422

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(E)-(3-pentoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(E)-(3-pentoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide (CID 110340499) is 2,4-dimethyl-N-[(E)-(3-pentoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(E)-(3-pentoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(E)-(3-pentoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide is CCCCCOc1cccc(/C=N/NC(=O)c2sc(C)nc2C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(E)-(3-pentoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
The InChIKey is NIDQYFQYFJCDCP-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-4-5-6-10-23-16-9-7-8-15(11-16)12-19-21-18(22)17-13(2)20-14(3)24-17/h7-9,11-12H,4-6,10H2,1-3H3,(H,21,22)/b19-12+.
What are the key properties of 2,4-dimethyl-N-[(E)-(3-pentoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[(E)-(3-pentoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(E)-(3-pentoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110340499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).