2-pyrazin-2-yl-5-pyrrolidin-1-yl-1,3,4-thiadiazole

C10H11N5S — CID 11665827

IUPAC2-pyrazin-2-yl-5-pyrrolidin-1-yl-1,3,4-thiadiazole
SMILESc1cnc(-c2nnc(N3CCCC3)s2)cn1
InChIInChI=1S/C10H11N5S/c1-2-6-15(5-1)10-14-13-9(16-10)8-7-11-3-4-12-8/h3-4,7H,1-2,5-6H2
InChIKeyOJTYWEMCUUYWBH-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.60
Rot. Bonds2

About 2-pyrazin-2-yl-5-pyrrolidin-1-yl-1,3,4-thiadiazole

2-pyrazin-2-yl-5-pyrrolidin-1-yl-1,3,4-thiadiazole (PubChem CID 11665827) has the molecular formula C10H11N5S and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-pyrazin-2-yl-5-pyrrolidin-1-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-pyrazin-2-yl-5-pyrrolidin-1-yl-1,3,4-thiadiazole
PubChem CID11665827
Molecular FormulaC10H11N5S
Molecular Weight233.30 g/mol
Exact Mass233.07
IUPAC Name2-pyrazin-2-yl-5-pyrrolidin-1-yl-1,3,4-thiadiazole
SMILESc1cnc(-c2nnc(N3CCCC3)s2)cn1
InChIInChI=1S/C10H11N5S/c1-2-6-15(5-1)10-14-13-9(16-10)8-7-11-3-4-12-8/h3-4,7H,1-2,5-6H2
InChIKeyOJTYWEMCUUYWBH-UHFFFAOYSA-N
XLogP1.60
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The IUPAC name of 2-pyrazin-2-yl-5-pyrrolidin-1-yl-1,3,4-thiadiazole (CID 11665827) is 2-pyrazin-2-yl-5-pyrrolidin-1-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-pyrazin-2-yl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-pyrazin-2-yl-5-pyrrolidin-1-yl-1,3,4-thiadiazole is c1cnc(-c2nnc(N3CCCC3)s2)cn1.
What is the InChIKey of 2-pyrazin-2-yl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The InChIKey is OJTYWEMCUUYWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S/c1-2-6-15(5-1)10-14-13-9(16-10)8-7-11-3-4-12-8/h3-4,7H,1-2,5-6H2.
What are the key properties of 2-pyrazin-2-yl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
2-pyrazin-2-yl-5-pyrrolidin-1-yl-1,3,4-thiadiazole has a molecular weight of 233.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-5-pyrrolidin-1-yl-1,3,4-thiadiazole is sourced from PubChem (CID 11665827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).