N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide

C16H14Cl2N6O3S — CID 25205508

IUPACN-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCN(Cc1csc(NC(=O)NCc2ccc(Cl)c(Cl)c2)n1)C(=O)c1cnon1
InChIInChI=1S/C16H14Cl2N6O3S/c1-24(14(25)13-6-20-27-23-13)7-10-8-28-16(21-10)22-15(26)19-5-9-2-3-11(17)12(18)4-9/h2-4,6,8H,5,7H2,1H3,(H2,19,21,22,26)
InChIKeyXQDJOHUVKDXYJJ-UHFFFAOYSA-N
MW441.30 g/mol
LogP3.43
Rot. Bonds6

About N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide

N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 25205508) has the molecular formula C16H14Cl2N6O3S and a molecular weight of 441.30 g/mol. Its IUPAC name is N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID25205508
Molecular FormulaC16H14Cl2N6O3S
Molecular Weight441.30 g/mol
Exact Mass440.02
IUPAC NameN-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCN(Cc1csc(NC(=O)NCc2ccc(Cl)c(Cl)c2)n1)C(=O)c1cnon1
InChIInChI=1S/C16H14Cl2N6O3S/c1-24(14(25)13-6-20-27-23-13)7-10-8-28-16(21-10)22-15(26)19-5-9-2-3-11(17)12(18)4-9/h2-4,6,8H,5,7H2,1H3,(H2,19,21,22,26)
InChIKeyXQDJOHUVKDXYJJ-UHFFFAOYSA-N
XLogP3.43
TPSA113.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.30
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide (CID 25205508) is N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide is CN(Cc1csc(NC(=O)NCc2ccc(Cl)c(Cl)c2)n1)C(=O)c1cnon1.
What is the InChIKey of N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is XQDJOHUVKDXYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N6O3S/c1-24(14(25)13-6-20-27-23-13)7-10-8-28-16(21-10)22-15(26)19-5-9-2-3-11(17)12(18)4-9/h2-4,6,8H,5,7H2,1H3,(H2,19,21,22,26).
What are the key properties of N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 441.30 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 25205508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).