pyrrolidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone

C12H12N2OS2 — CID 24540104

IUPACpyrrolidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2cccs2)n1)N1CCCC1
InChIInChI=1S/C12H12N2OS2/c15-12(14-5-1-2-6-14)9-8-17-11(13-9)10-4-3-7-16-10/h3-4,7-8H,1-2,5-6H2
InChIKeyBCKCLIDULRMATD-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.11
Rot. Bonds2

About pyrrolidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone

pyrrolidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 24540104) has the molecular formula C12H12N2OS2 and a molecular weight of 264.37 g/mol. Its IUPAC name is pyrrolidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID24540104
Molecular FormulaC12H12N2OS2
Molecular Weight264.37 g/mol
Exact Mass264.04
IUPAC Namepyrrolidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2cccs2)n1)N1CCCC1
InChIInChI=1S/C12H12N2OS2/c15-12(14-5-1-2-6-14)9-8-17-11(13-9)10-4-3-7-16-10/h3-4,7-8H,1-2,5-6H2
InChIKeyBCKCLIDULRMATD-UHFFFAOYSA-N
XLogP3.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of pyrrolidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone (CID 24540104) is pyrrolidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for pyrrolidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for pyrrolidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2cccs2)n1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is BCKCLIDULRMATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c15-12(14-5-1-2-6-14)9-8-17-11(13-9)10-4-3-7-16-10/h3-4,7-8H,1-2,5-6H2.
What are the key properties of pyrrolidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
pyrrolidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 264.37 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 24540104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).