[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C23H25N3O2S — CID 56544374

IUPAC[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C23H25N3O2S/c27-23(26-14-10-18(11-15-26)25-12-4-5-13-25)21-20(17-7-2-1-3-8-17)24-22(29-21)19-9-6-16-28-19/h1-3,6-9,16,18H,4-5,10-15H2
InChIKeyCYKWNJCIFLKFHN-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.77
Rot. Bonds4

About [2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 56544374) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is [2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID56544374
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C23H25N3O2S/c27-23(26-14-10-18(11-15-26)25-12-4-5-13-25)21-20(17-7-2-1-3-8-17)24-22(29-21)19-9-6-16-28-19/h1-3,6-9,16,18H,4-5,10-15H2
InChIKeyCYKWNJCIFLKFHN-UHFFFAOYSA-N
XLogP4.77
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 36704275
[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
CID 166320388
[4-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 46456067
2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119385843
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 24638936
[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
CID 82437452
[4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59337859
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119455202
2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 36766447
[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 23589138
N'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 36757551
N-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 46551376

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 56544374) is [2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is O=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of [2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is CYKWNJCIFLKFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c27-23(26-14-10-18(11-15-26)25-12-4-5-13-25)21-20(17-7-2-1-3-8-17)24-22(29-21)19-9-6-16-28-19/h1-3,6-9,16,18H,4-5,10-15H2.
What are the key properties of [2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 407.54 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 56544374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).