(2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone

C17H20N2O2S — CID 87032302

IUPAC(2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(-c2ccco2)n1)N1CCCC1C1CCCC1
InChIInChI=1S/C17H20N2O2S/c20-17(13-11-22-16(18-13)15-8-4-10-21-15)19-9-3-7-14(19)12-5-1-2-6-12/h4,8,10-12,14H,1-3,5-7,9H2
InChIKeyCDPQLTWQTOIKBV-UHFFFAOYSA-N
MW316.43 g/mol
LogP4.20
Rot. Bonds3

About (2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone

(2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone (PubChem CID 87032302) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is (2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
PubChem CID87032302
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name(2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(-c2ccco2)n1)N1CCCC1C1CCCC1
InChIInChI=1S/C17H20N2O2S/c20-17(13-11-22-16(18-13)15-8-4-10-21-15)19-9-3-7-14(19)12-5-1-2-6-12/h4,8,10-12,14H,1-3,5-7,9H2
InChIKeyCDPQLTWQTOIKBV-UHFFFAOYSA-N
XLogP4.20
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 24664167
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 51648897
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone
CID 134022945
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 94589806
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 9489559
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36708255
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759229
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[2-(2-methylsulfanylphenyl)-1,3-thiazol-4-yl]methanone
CID 58924892
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 39975800
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
CID 55555295
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 56811264
[2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 36708538

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone (CID 87032302) is (2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone is O=C(c1csc(-c2ccco2)n1)N1CCCC1C1CCCC1.
What is the InChIKey of (2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone?
The InChIKey is CDPQLTWQTOIKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-17(13-11-22-16(18-13)15-8-4-10-21-15)19-9-3-7-14(19)12-5-1-2-6-12/h4,8,10-12,14H,1-3,5-7,9H2.
What are the key properties of (2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone?
(2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone has a molecular weight of 316.43 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 87032302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).