5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C9H7Cl2N3S2 — CID 729702

IUPAC5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C9H7Cl2N3S2/c10-6-2-1-3-7(11)5(6)4-15-9-14-13-8(12)16-9/h1-3H,4H2,(H2,12,13)
InChIKeyGRRLYGYAFVUVSP-UHFFFAOYSA-N
MW292.22 g/mol
LogP3.72
Rot. Bonds3

About 5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 729702) has the molecular formula C9H7Cl2N3S2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID729702
Molecular FormulaC9H7Cl2N3S2
Molecular Weight292.22 g/mol
Exact Mass290.95
IUPAC Name5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C9H7Cl2N3S2/c10-6-2-1-3-7(11)5(6)4-15-9-14-13-8(12)16-9/h1-3H,4H2,(H2,12,13)
InChIKeyGRRLYGYAFVUVSP-UHFFFAOYSA-N
XLogP3.72
TPSA51.80 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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(((4-Chlorophenyl)methyl)thio)-1,3,4-thiadiazol-2-amine
CID 351887
5-[(2-Chloro-4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-amine
CID 972610
5-[(2-Chlorobenzyl)thio]-1,3,4-thiadiazol-2-amine
CID 673926
5-{[(2-Chloro-6-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine
CID 728593
5-{[(2,4-Dichlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine
CID 673461
5-{[(2-Chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-amine
CID 1868435
5-{[1-(2-Chlorophenyl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-amine
CID 587037
5-{[(2,4-Dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-amine
CID 2881592
5-[(3-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 975325
5-[(2,5-Dichlorobenzyl)thio]-1,3,4-thiadiazol-2-amine
CID 620606
5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 17448392
5-{[(3,4-Dichlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine
CID 594499

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 729702) is 5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(SCc2c(Cl)cccc2Cl)s1.
What is the InChIKey of 5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GRRLYGYAFVUVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3S2/c10-6-2-1-3-7(11)5(6)4-15-9-14-13-8(12)16-9/h1-3H,4H2,(H2,12,13).
What are the key properties of 5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 292.22 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 729702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).