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

C10H8ClN5S2 — CID 4567491

IUPAC5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2cn3cc(Cl)ccc3n2)s1
InChIInChI=1S/C10H8ClN5S2/c11-6-1-2-8-13-7(4-16(8)3-6)5-17-10-15-14-9(12)18-10/h1-4H,5H2,(H2,12,14)
InChIKeyRPTYCKLWVLJIAN-UHFFFAOYSA-N
MW297.80 g/mol
LogP2.71
Rot. Bonds3

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

5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 4567491) has the molecular formula C10H8ClN5S2 and a molecular weight of 297.80 g/mol. Its IUPAC name is 5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID4567491
Molecular FormulaC10H8ClN5S2
Molecular Weight297.80 g/mol
Exact Mass296.99
IUPAC Name5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2cn3cc(Cl)ccc3n2)s1
InChIInChI=1S/C10H8ClN5S2/c11-6-1-2-8-13-7(4-16(8)3-6)5-17-10-15-14-9(12)18-10/h1-4H,5H2,(H2,12,14)
InChIKeyRPTYCKLWVLJIAN-UHFFFAOYSA-N
XLogP2.71
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.80
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 4567491) is 5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(SCc2cn3cc(Cl)ccc3n2)s1.
What is the InChIKey of 5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is RPTYCKLWVLJIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5S2/c11-6-1-2-8-13-7(4-16(8)3-6)5-17-10-15-14-9(12)18-10/h1-4H,5H2,(H2,12,14).
What are the key properties of 5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 297.80 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 4567491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).