[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C13H14N2O2S — CID 97453901

IUPAC[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC[C@@H]2c2ccco2)cs1
InChIInChI=1S/C13H14N2O2S/c1-9-14-10(8-18-9)13(16)15-6-2-4-11(15)12-5-3-7-17-12/h3,5,7-8,11H,2,4,6H2,1H3/t11-/m1/s1
InChIKeyXBMLVJCFXUIKFH-LLVKDONJSA-N
MW262.33 g/mol
LogP3.02
Rot. Bonds2

About [(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 97453901) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is [(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID97453901
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC[C@@H]2c2ccco2)cs1
InChIInChI=1S/C13H14N2O2S/c1-9-14-10(8-18-9)13(16)15-6-2-4-11(15)12-5-3-7-17-12/h3,5,7-8,11H,2,4,6H2,1H3/t11-/m1/s1
InChIKeyXBMLVJCFXUIKFH-LLVKDONJSA-N
XLogP3.02
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 99808580
[2-(furan-2-yl)pyrrolidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 74240384
[(2S)-2-(furan-2-yl)azepan-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone
CID 97317503
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 92721203
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95142953
(6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone
CID 102562615
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97008556
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95328917
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
(2-methyl-1,3-thiazol-4-yl)-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 95136623
[2-(furan-2-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 20895623

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 97453901) is [(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCC[C@@H]2c2ccco2)cs1.
What is the InChIKey of [(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is XBMLVJCFXUIKFH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-14-10(8-18-9)13(16)15-6-2-4-11(15)12-5-3-7-17-12/h3,5,7-8,11H,2,4,6H2,1H3/t11-/m1/s1.
What are the key properties of [(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 262.33 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 97453901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).