N-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine

C9H7Cl2N3S2 — CID 2732438

IUPACN-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCSc1nnc(Nc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C9H7Cl2N3S2/c1-15-9-14-13-8(16-9)12-7-3-2-5(10)4-6(7)11/h2-4H,1H3,(H,12,13)
InChIKeyJJBKIHJZBACOND-UHFFFAOYSA-N
MW292.22 g/mol
LogP4.31
Rot. Bonds3

About N-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine

N-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 2732438) has the molecular formula C9H7Cl2N3S2 and a molecular weight of 292.22 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID2732438
Molecular FormulaC9H7Cl2N3S2
Molecular Weight292.22 g/mol
Exact Mass290.95
IUPAC NameN-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCSc1nnc(Nc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C9H7Cl2N3S2/c1-15-9-14-13-8(16-9)12-7-3-2-5(10)4-6(7)11/h2-4H,1H3,(H,12,13)
InChIKeyJJBKIHJZBACOND-UHFFFAOYSA-N
XLogP4.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Chlorophenyl)-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 7587485
N2-(4-chlorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 2725662
1,2,3,4-Thiatriazol-5-amine, N-(4-chlorophenyl)-
CID 936108
1-(4-Chlorophenyl)-3-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)urea
CID 5008251
1-(2,4-Dichlorophenyl)-3-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]urea
CID 1636574
N-(3,5-dichlorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 2804758
N-(4-chlorophenyl)-4-methyl-5-methylsulfanyl-1,3,4-thiadiazol-4-ium-2-amine tetrafluoroborate
CID 14472461
2-(3-Chlorophenylamino)-5-(2-butyldisulfanyl)-1,3,4-thiadiazole
CID 141480179
2-(3-Chlorophenylamino)-5-(i-butyldisulfanyl)-1,3,4-thiadiazole
CID 141480184
2-N-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-diamine
CID 7541185
N-(2,3-dichlorophenyl)-N'-phenyl-1,3,4-thiadiazole-2,5-diamine
CID 60181698
1-(4-Chlorophenyl)-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 1892917

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine (CID 2732438) is N-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine is CSc1nnc(Nc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of N-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is JJBKIHJZBACOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3S2/c1-15-9-14-13-8(16-9)12-7-3-2-5(10)4-6(7)11/h2-4H,1H3,(H,12,13).
What are the key properties of N-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine?
N-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 292.22 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2732438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).