5-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C10H7Cl2N5S2 — CID 52830020

IUPAC5-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2cn3cc(Cl)cc(Cl)c3n2)s1
InChIInChI=1S/C10H7Cl2N5S2/c11-5-1-7(12)8-14-6(3-17(8)2-5)4-18-10-16-15-9(13)19-10/h1-3H,4H2,(H2,13,15)
InChIKeyDYLARVRJHORLOJ-UHFFFAOYSA-N
MW332.24 g/mol
LogP3.37
Rot. Bonds3

About 5-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 52830020) has the molecular formula C10H7Cl2N5S2 and a molecular weight of 332.24 g/mol. Its IUPAC name is 5-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID52830020
Molecular FormulaC10H7Cl2N5S2
Molecular Weight332.24 g/mol
Exact Mass330.95
IUPAC Name5-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2cn3cc(Cl)cc(Cl)c3n2)s1
InChIInChI=1S/C10H7Cl2N5S2/c11-5-1-7(12)8-14-6(3-17(8)2-5)4-18-10-16-15-9(13)19-10/h1-3H,4H2,(H2,13,15)
InChIKeyDYLARVRJHORLOJ-UHFFFAOYSA-N
XLogP3.37
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 52830020) is 5-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(SCc2cn3cc(Cl)cc(Cl)c3n2)s1.
What is the InChIKey of 5-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is DYLARVRJHORLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N5S2/c11-5-1-7(12)8-14-6(3-17(8)2-5)4-18-10-16-15-9(13)19-10/h1-3H,4H2,(H2,13,15).
What are the key properties of 5-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 332.24 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 52830020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).