5-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C9H10ClN5S2 — CID 103055091

IUPAC5-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCc2cnc(Cl)cn2)s1
InChIInChI=1S/C9H10ClN5S2/c1-15(2)8-13-14-9(17-8)16-5-6-3-12-7(10)4-11-6/h3-4H,5H2,1-2H3
InChIKeyWCFKBLYYFKJJAC-UHFFFAOYSA-N
MW287.80 g/mol
LogP2.34
Rot. Bonds4

About 5-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 103055091) has the molecular formula C9H10ClN5S2 and a molecular weight of 287.80 g/mol. Its IUPAC name is 5-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID103055091
Molecular FormulaC9H10ClN5S2
Molecular Weight287.80 g/mol
Exact Mass287.01
IUPAC Name5-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCc2cnc(Cl)cn2)s1
InChIInChI=1S/C9H10ClN5S2/c1-15(2)8-13-14-9(17-8)16-5-6-3-12-7(10)4-11-6/h3-4H,5H2,1-2H3
InChIKeyWCFKBLYYFKJJAC-UHFFFAOYSA-N
XLogP2.34
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.80
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 103055091) is 5-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SCc2cnc(Cl)cn2)s1.
What is the InChIKey of 5-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WCFKBLYYFKJJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5S2/c1-15(2)8-13-14-9(17-8)16-5-6-3-12-7(10)4-11-6/h3-4H,5H2,1-2H3.
What are the key properties of 5-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 287.80 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103055091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).