1-(4-chlorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethanone

C11H10ClN3OS2 — CID 110825355

IUPAC1-(4-chlorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethanone
SMILESCSc1nsc(NCC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H10ClN3OS2/c1-17-11-14-10(18-15-11)13-6-9(16)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,14,15)
InChIKeyAZBZMJYXKAJVBW-UHFFFAOYSA-N
MW299.81 g/mol
LogP3.21
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethanone

1-(4-chlorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethanone (PubChem CID 110825355) has the molecular formula C11H10ClN3OS2 and a molecular weight of 299.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethanone
PubChem CID110825355
Molecular FormulaC11H10ClN3OS2
Molecular Weight299.81 g/mol
Exact Mass299.00
IUPAC Name1-(4-chlorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethanone
SMILESCSc1nsc(NCC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H10ClN3OS2/c1-17-11-14-10(18-15-11)13-6-9(16)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,14,15)
InChIKeyAZBZMJYXKAJVBW-UHFFFAOYSA-N
XLogP3.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-1-(4-fluorophenyl)ethanone
CID 110825478
3,4-dichloro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide
CID 2994551
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-chlorophenyl)ethanone
CID 110825257
1-(4-methylphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone
CID 3962092
N-(furan-2-ylmethyl)-3-methylsulfanyl-1,2,4-thiadiazol-5-amine
CID 126999868
1-(4-chlorophenyl)-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanone;hydrochloride
CID 44789174
1-(4-chlorophenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone
CID 110825305
1-[4-[(1R)-2,2-dichlorocyclopropyl]phenyl]-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone
CID 40951287
4-[2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]acetyl]-N,N-diethylbenzenesulfonamide
CID 110827897
N-[3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-3-oxopropyl]-4-nitrobenzamide
CID 4842437
1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone
CID 82101433
1-(4-chlorophenyl)-2-(hexylamino)ethanone
CID 82101441

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethanone (CID 110825355) is 1-(4-chlorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethanone is CSc1nsc(NCC(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethanone?
The InChIKey is AZBZMJYXKAJVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS2/c1-17-11-14-10(18-15-11)13-6-9(16)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,14,15).
What are the key properties of 1-(4-chlorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethanone?
1-(4-chlorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethanone has a molecular weight of 299.81 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethanone is sourced from PubChem (CID 110825355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).