N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

C14H10Cl2N4OS3 — CID 4289897

IUPACN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCC(Sc1nncs1)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C14H10Cl2N4OS3/c1-7(24-14-20-17-6-23-14)12(21)19-13-18-11(5-22-13)8-2-3-9(15)10(16)4-8/h2-7H,1H3,(H,18,19,21)
InChIKeyPDDWKFIVJJYMCY-UHFFFAOYSA-N
MW417.37 g/mol
LogP5.09
Rot. Bonds5

About N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (PubChem CID 4289897) has the molecular formula C14H10Cl2N4OS3 and a molecular weight of 417.37 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
PubChem CID4289897
Molecular FormulaC14H10Cl2N4OS3
Molecular Weight417.37 g/mol
Exact Mass415.94
IUPAC NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCC(Sc1nncs1)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C14H10Cl2N4OS3/c1-7(24-14-20-17-6-23-14)12(21)19-13-18-11(5-22-13)8-2-3-9(15)10(16)4-8/h2-7H,1H3,(H,18,19,21)
InChIKeyPDDWKFIVJJYMCY-UHFFFAOYSA-N
XLogP5.09
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.37
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (CID 4289897) is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is CC(Sc1nncs1)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The InChIKey is PDDWKFIVJJYMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4OS3/c1-7(24-14-20-17-6-23-14)12(21)19-13-18-11(5-22-13)8-2-3-9(15)10(16)4-8/h2-7H,1H3,(H,18,19,21).
What are the key properties of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide has a molecular weight of 417.37 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 4289897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).