N-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide

C13H11Cl2N3O2S — CID 23822862

IUPACN-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide
SMILESO=C(CCC(=O)Nc1nccs1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O2S/c14-9-2-1-8(7-10(9)15)17-11(19)3-4-12(20)18-13-16-5-6-21-13/h1-2,5-7H,3-4H2,(H,17,19)(H,16,18,20)
InChIKeyIMWJQXIGITVRMA-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.81
Rot. Bonds5

About N-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide

N-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide (PubChem CID 23822862) has the molecular formula C13H11Cl2N3O2S and a molecular weight of 344.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide
PubChem CID23822862
Molecular FormulaC13H11Cl2N3O2S
Molecular Weight344.22 g/mol
Exact Mass342.99
IUPAC NameN-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide
SMILESO=C(CCC(=O)Nc1nccs1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O2S/c14-9-2-1-8(7-10(9)15)17-11(19)3-4-12(20)18-13-16-5-6-21-13/h1-2,5-7H,3-4H2,(H,17,19)(H,16,18,20)
InChIKeyIMWJQXIGITVRMA-UHFFFAOYSA-N
XLogP3.81
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-N'-(1,3-thiazol-2-yl)butanediamide
CID 23818664
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(1,3-thiazol-2-yl)butanediamide
CID 23907193
N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide
CID 23964431
1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-ylmethyl)urea
CID 110446996
4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23934454
1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 99831962
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N'-(1,3-thiazol-2-yl)butanediamide
CID 86874838
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
4-oxo-4-[4-(1,3-thiazol-2-ylcarbamoyl)anilino]butanoic acid
CID 774064
4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2666592
4-oxo-4-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylanilino]butanoic acid
CID 22785097
N-(3,4-dichlorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 18136524

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide (CID 23822862) is N-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide is O=C(CCC(=O)Nc1nccs1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide?
The InChIKey is IMWJQXIGITVRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2S/c14-9-2-1-8(7-10(9)15)17-11(19)3-4-12(20)18-13-16-5-6-21-13/h1-2,5-7H,3-4H2,(H,17,19)(H,16,18,20).
What are the key properties of N-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide?
N-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide has a molecular weight of 344.22 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 23822862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).