N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methanesulfonamido)acetamide

C12H12Cl2N4O3S2 — CID 157016593

IUPACN-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methanesulfonamido)acetamide
SMILESCS(=O)(=O)NCC(=O)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C12H12Cl2N4O3S2/c1-23(20,21)15-6-10(19)16-12-18-17-11(22-12)4-7-2-3-8(13)5-9(7)14/h2-3,5,15H,4,6H2,1H3,(H,16,18,19)
InChIKeyYPJSGZGCSAIINX-UHFFFAOYSA-N
MW395.29 g/mol
LogP1.92
Rot. Bonds6

About N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methanesulfonamido)acetamide

N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methanesulfonamido)acetamide (PubChem CID 157016593) has the molecular formula C12H12Cl2N4O3S2 and a molecular weight of 395.29 g/mol. Its IUPAC name is N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methanesulfonamido)acetamide.

Molecular Properties

Compound NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methanesulfonamido)acetamide
PubChem CID157016593
Molecular FormulaC12H12Cl2N4O3S2
Molecular Weight395.29 g/mol
Exact Mass393.97
IUPAC NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methanesulfonamido)acetamide
SMILESCS(=O)(=O)NCC(=O)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C12H12Cl2N4O3S2/c1-23(20,21)15-6-10(19)16-12-18-17-11(22-12)4-7-2-3-8(13)5-9(7)14/h2-3,5,15H,4,6H2,1H3,(H,16,18,19)
InChIKeyYPJSGZGCSAIINX-UHFFFAOYSA-N
XLogP1.92
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 711646
5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 13272859
N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 2258431
N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100568826
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91842512
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119777307
2-[5-[(2,4-dichlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 2278160
4-(2,4-dichlorophenoxy)-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 17319755
2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1251878
2-(2,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4852969
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24628780
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide
CID 1187810

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methanesulfonamido)acetamide?
The IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methanesulfonamido)acetamide (CID 157016593) is N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methanesulfonamido)acetamide.
What is the SMILES notation for N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methanesulfonamido)acetamide?
The canonical SMILES for N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methanesulfonamido)acetamide is CS(=O)(=O)NCC(=O)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methanesulfonamido)acetamide?
The InChIKey is YPJSGZGCSAIINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O3S2/c1-23(20,21)15-6-10(19)16-12-18-17-11(22-12)4-7-2-3-8(13)5-9(7)14/h2-3,5,15H,4,6H2,1H3,(H,16,18,19).
What are the key properties of N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methanesulfonamido)acetamide?
N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methanesulfonamido)acetamide has a molecular weight of 395.29 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methanesulfonamido)acetamide is sourced from PubChem (CID 157016593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).