(3,4-dichlorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate

C11H9Cl2N3O2S2 — CID 2474182

IUPAC(3,4-dichlorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
SMILESNc1nnc(SCC(=O)OCc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C11H9Cl2N3O2S2/c12-7-2-1-6(3-8(7)13)4-18-9(17)5-19-11-16-15-10(14)20-11/h1-3H,4-5H2,(H2,14,15)
InChIKeyNSUWUJLJBKHJCD-UHFFFAOYSA-N
MW350.25 g/mol
LogP3.26
Rot. Bonds5

About (3,4-dichlorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate

(3,4-dichlorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate (PubChem CID 2474182) has the molecular formula C11H9Cl2N3O2S2 and a molecular weight of 350.25 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
PubChem CID2474182
Molecular FormulaC11H9Cl2N3O2S2
Molecular Weight350.25 g/mol
Exact Mass348.95
IUPAC Name(3,4-dichlorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
SMILESNc1nnc(SCC(=O)OCc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C11H9Cl2N3O2S2/c12-7-2-1-6(3-8(7)13)4-18-9(17)5-19-11-16-15-10(14)20-11/h1-3H,4-5H2,(H2,14,15)
InChIKeyNSUWUJLJBKHJCD-UHFFFAOYSA-N
XLogP3.26
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The IUPAC name of (3,4-dichlorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate (CID 2474182) is (3,4-dichlorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The canonical SMILES for (3,4-dichlorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is Nc1nnc(SCC(=O)OCc2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of (3,4-dichlorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The InChIKey is NSUWUJLJBKHJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2S2/c12-7-2-1-6(3-8(7)13)4-18-9(17)5-19-11-16-15-10(14)20-11/h1-3H,4-5H2,(H2,14,15).
What are the key properties of (3,4-dichlorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
(3,4-dichlorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate has a molecular weight of 350.25 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is sourced from PubChem (CID 2474182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).