2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-thiadiazol-2-yl]-5-methylsulfanyl-1,2,4-triazol-3-amine

C15H19N7OS2 — CID 21256901

IUPAC2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-thiadiazol-2-yl]-5-methylsulfanyl-1,2,4-triazol-3-amine
SMILESCSc1nc(N)n(-c2nnc(-c3ccc(OCCN(C)C)cc3)s2)n1
InChIInChI=1S/C15H19N7OS2/c1-21(2)8-9-23-11-6-4-10(5-7-11)12-18-19-15(25-12)22-13(16)17-14(20-22)24-3/h4-7H,8-9H2,1-3H3,(H2,16,17,20)
InChIKeyIDKUYBQJEZFPBX-UHFFFAOYSA-N
MW377.50 g/mol
LogP2.03
Rot. Bonds7

About 2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-thiadiazol-2-yl]-5-methylsulfanyl-1,2,4-triazol-3-amine

2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-thiadiazol-2-yl]-5-methylsulfanyl-1,2,4-triazol-3-amine (PubChem CID 21256901) has the molecular formula C15H19N7OS2 and a molecular weight of 377.50 g/mol. Its IUPAC name is 2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-thiadiazol-2-yl]-5-methylsulfanyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-thiadiazol-2-yl]-5-methylsulfanyl-1,2,4-triazol-3-amine
PubChem CID21256901
Molecular FormulaC15H19N7OS2
Molecular Weight377.50 g/mol
Exact Mass377.11
IUPAC Name2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-thiadiazol-2-yl]-5-methylsulfanyl-1,2,4-triazol-3-amine
SMILESCSc1nc(N)n(-c2nnc(-c3ccc(OCCN(C)C)cc3)s2)n1
InChIInChI=1S/C15H19N7OS2/c1-21(2)8-9-23-11-6-4-10(5-7-11)12-18-19-15(25-12)22-13(16)17-14(20-22)24-3/h4-7H,8-9H2,1-3H3,(H2,16,17,20)
InChIKeyIDKUYBQJEZFPBX-UHFFFAOYSA-N
XLogP2.03
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-thiadiazol-2-yl]-5-methylsulfanyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-thiadiazol-2-yl]-5-methylsulfanyl-1,2,4-triazol-3-amine (CID 21256901) is 2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-thiadiazol-2-yl]-5-methylsulfanyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-thiadiazol-2-yl]-5-methylsulfanyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-thiadiazol-2-yl]-5-methylsulfanyl-1,2,4-triazol-3-amine is CSc1nc(N)n(-c2nnc(-c3ccc(OCCN(C)C)cc3)s2)n1.
What is the InChIKey of 2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-thiadiazol-2-yl]-5-methylsulfanyl-1,2,4-triazol-3-amine?
The InChIKey is IDKUYBQJEZFPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7OS2/c1-21(2)8-9-23-11-6-4-10(5-7-11)12-18-19-15(25-12)22-13(16)17-14(20-22)24-3/h4-7H,8-9H2,1-3H3,(H2,16,17,20).
What are the key properties of 2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-thiadiazol-2-yl]-5-methylsulfanyl-1,2,4-triazol-3-amine?
2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-thiadiazol-2-yl]-5-methylsulfanyl-1,2,4-triazol-3-amine has a molecular weight of 377.50 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-thiadiazol-2-yl]-5-methylsulfanyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 21256901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).