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

C15H15Cl2N3OS — CID 9464064

IUPACN-[(Z)-1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCC/C(=N/NC(=O)Cc1csc(C)n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3OS/c1-3-14(10-4-5-12(16)13(17)6-10)19-20-15(21)7-11-8-22-9(2)18-11/h4-6,8H,3,7H2,1-2H3,(H,20,21)/b19-14-
InChIKeyRYADMRNWRMMZPP-RGEXLXHISA-N
MW356.28 g/mol
LogP4.23
Rot. Bonds5

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

N-[(Z)-1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 9464064) has the molecular formula C15H15Cl2N3OS and a molecular weight of 356.28 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID9464064
Molecular FormulaC15H15Cl2N3OS
Molecular Weight356.28 g/mol
Exact Mass355.03
IUPAC NameN-[(Z)-1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCC/C(=N/NC(=O)Cc1csc(C)n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3OS/c1-3-14(10-4-5-12(16)13(17)6-10)19-20-15(21)7-11-8-22-9(2)18-11/h4-6,8H,3,7H2,1-2H3,(H,20,21)/b19-14-
InChIKeyRYADMRNWRMMZPP-RGEXLXHISA-N
XLogP4.23
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 6092245
N-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463729
N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9464108
N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 5106080
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
CID 78583999
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135821378
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 4018140
3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 4256209
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135811310
N-[1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 4845784
N-[1-(3-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 47097501
2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 9463968

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(Z)-1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 9464064) is N-[(Z)-1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(Z)-1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(Z)-1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is CC/C(=N/NC(=O)Cc1csc(C)n1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(Z)-1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is RYADMRNWRMMZPP-RGEXLXHISA-N. The full InChI is InChI=1S/C15H15Cl2N3OS/c1-3-14(10-4-5-12(16)13(17)6-10)19-20-15(21)7-11-8-22-9(2)18-11/h4-6,8H,3,7H2,1-2H3,(H,20,21)/b19-14-.
What are the key properties of N-[(Z)-1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(Z)-1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 356.28 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 9464064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).