N-[2-(2,4-dichlorophenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

C14H13Cl2N5OS — CID 110385692

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESO=C(CCc1nn2cnnc2s1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N5OS/c15-10-2-1-9(11(16)7-10)5-6-17-12(22)3-4-13-20-21-8-18-19-14(21)23-13/h1-2,7-8H,3-6H2,(H,17,22)
InChIKeyLZLBXIXTKKPIPR-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.78
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

N-[2-(2,4-dichlorophenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110385692) has the molecular formula C14H13Cl2N5OS and a molecular weight of 370.27 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110385692
Molecular FormulaC14H13Cl2N5OS
Molecular Weight370.27 g/mol
Exact Mass369.02
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESO=C(CCc1nn2cnnc2s1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N5OS/c15-10-2-1-9(11(16)7-10)5-6-17-12(22)3-4-13-20-21-8-18-19-14(21)23-13/h1-2,7-8H,3-6H2,(H,17,22)
InChIKeyLZLBXIXTKKPIPR-UHFFFAOYSA-N
XLogP2.78
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2,4-dichlorophenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2,4-dichloro-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110401568
N-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 110388742
N-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385650
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806
N-[2-(2,4-dichlorophenyl)ethyl]-3-(1,3-oxazol-4-yl)propanamide
CID 110679038
N-(3,4-difluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385800
N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide
CID 9269490
2-(2-methylphenyl)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]acetamide
CID 110672973
N-[2-(2,4-dichlorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide
CID 110697902
N-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385704
N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119408221
N-[2-(2,4-dichlorophenyl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 110685590

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110385692) is N-[2-(2,4-dichlorophenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is O=C(CCc1nn2cnnc2s1)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is LZLBXIXTKKPIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5OS/c15-10-2-1-9(11(16)7-10)5-6-17-12(22)3-4-13-20-21-8-18-19-14(21)23-13/h1-2,7-8H,3-6H2,(H,17,22).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-[2-(2,4-dichlorophenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 370.27 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110385692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).