2-[(2,6-dichlorophenyl)methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide

C19H16Cl2N2OS — CID 59768274

IUPAC2-[(2,6-dichlorophenyl)methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1csc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C19H16Cl2N2OS/c20-15-7-4-8-16(21)14(15)11-18-23-17(12-25-18)19(24)22-10-9-13-5-2-1-3-6-13/h1-8,12H,9-11H2,(H,22,24)
InChIKeyULWGSOLHZVAXLS-UHFFFAOYSA-N
MW391.32 g/mol
LogP5.01
Rot. Bonds6

About 2-[(2,6-dichlorophenyl)methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide

2-[(2,6-dichlorophenyl)methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 59768274) has the molecular formula C19H16Cl2N2OS and a molecular weight of 391.32 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID59768274
Molecular FormulaC19H16Cl2N2OS
Molecular Weight391.32 g/mol
Exact Mass390.04
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1csc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C19H16Cl2N2OS/c20-15-7-4-8-16(21)14(15)11-18-23-17(12-25-18)19(24)22-10-9-13-5-2-1-3-6-13/h1-8,12H,9-11H2,(H,22,24)
InChIKeyULWGSOLHZVAXLS-UHFFFAOYSA-N
XLogP5.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.32
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
N-[2-(2-chlorophenyl)ethyl]-2-[(7-phenylheptanoylamino)methyl]-1,3-thiazole-4-carboxamide
CID 91245135
2-ethynyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 163387836
2-benzyl-N-[3-(4-hydroxyphenyl)propyl]-1,3-thiazole-4-carboxamide
CID 86973043
N-benzyl-N-[(3-chlorophenyl)methyl]-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 59768212
methyl 2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 113306457
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide
CID 110465250
2-(aminomethyl)-N-(5-phenylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119772378
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119405606
6-[(2-benzyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 119220206
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzyl-1,3-thiazole-4-carboxamide
CID 38738978

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (CID 59768274) is 2-[(2,6-dichlorophenyl)methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is O=C(NCCc1ccccc1)c1csc(Cc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ULWGSOLHZVAXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2OS/c20-15-7-4-8-16(21)14(15)11-18-23-17(12-25-18)19(24)22-10-9-13-5-2-1-3-6-13/h1-8,12H,9-11H2,(H,22,24).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
2-[(2,6-dichlorophenyl)methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 391.32 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59768274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).