5-[(6-chloropyridazin-3-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C9H10ClN5S2 — CID 104514387

IUPAC5-[(6-chloropyridazin-3-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCc2ccc(Cl)nn2)s1
InChIInChI=1S/C9H10ClN5S2/c1-15(2)8-13-14-9(17-8)16-5-6-3-4-7(10)12-11-6/h3-4H,5H2,1-2H3
InChIKeyDPXUTONWYVIHFW-UHFFFAOYSA-N
MW287.80 g/mol
LogP2.34
Rot. Bonds4

About 5-[(6-chloropyridazin-3-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[(6-chloropyridazin-3-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 104514387) has the molecular formula C9H10ClN5S2 and a molecular weight of 287.80 g/mol. Its IUPAC name is 5-[(6-chloropyridazin-3-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(6-chloropyridazin-3-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID104514387
Molecular FormulaC9H10ClN5S2
Molecular Weight287.80 g/mol
Exact Mass287.01
IUPAC Name5-[(6-chloropyridazin-3-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCc2ccc(Cl)nn2)s1
InChIInChI=1S/C9H10ClN5S2/c1-15(2)8-13-14-9(17-8)16-5-6-3-4-7(10)12-11-6/h3-4H,5H2,1-2H3
InChIKeyDPXUTONWYVIHFW-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-[(6-chloropyridazin-3-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(6-chloropyridazin-3-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 104514387) is 5-[(6-chloropyridazin-3-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(6-chloropyridazin-3-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(6-chloropyridazin-3-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SCc2ccc(Cl)nn2)s1.
What is the InChIKey of 5-[(6-chloropyridazin-3-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DPXUTONWYVIHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5S2/c1-15(2)8-13-14-9(17-8)16-5-6-3-4-7(10)12-11-6/h3-4H,5H2,1-2H3.
What are the key properties of 5-[(6-chloropyridazin-3-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[(6-chloropyridazin-3-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-[(6-chloropyridazin-3-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 104514387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).