(4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

C12H18N4OS — CID 62273018

IUPAC(4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC1C1CCCN1
InChIInChI=1S/C12H18N4OS/c1-8-11(18-15-14-8)12(17)16-7-3-5-10(16)9-4-2-6-13-9/h9-10,13H,2-7H2,1H3
InChIKeyZRIBBEHXSAJJGK-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.20
Rot. Bonds2

About (4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

(4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 62273018) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
PubChem CID62273018
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name(4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC1C1CCCN1
InChIInChI=1S/C12H18N4OS/c1-8-11(18-15-14-8)12(17)16-7-3-5-10(16)9-4-2-6-13-9/h9-10,13H,2-7H2,1H3
InChIKeyZRIBBEHXSAJJGK-UHFFFAOYSA-N
XLogP1.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (CID 62273018) is (4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is Cc1nnsc1C(=O)N1CCCC1C1CCCN1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is ZRIBBEHXSAJJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8-11(18-15-14-8)12(17)16-7-3-5-10(16)9-4-2-6-13-9/h9-10,13H,2-7H2,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
(4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 266.37 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62273018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).