[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone

C17H21N3O3S — CID 95759229

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESO=C(c1csc(-c2ccco2)n1)N1CCN([C@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C17H21N3O3S/c21-14-4-1-3-13(14)19-6-8-20(9-7-19)17(22)12-11-24-16(18-12)15-5-2-10-23-15/h2,5,10-11,13-14,21H,1,3-4,6-9H2/t13-,14-/m0/s1
InChIKeyWAWQJRWMUYYYAA-KBPBESRZSA-N
MW347.44 g/mol
LogP2.07
Rot. Bonds3

About [2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone

[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (PubChem CID 95759229) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
PubChem CID95759229
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESO=C(c1csc(-c2ccco2)n1)N1CCN([C@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C17H21N3O3S/c21-14-4-1-3-13(14)19-6-8-20(9-7-19)17(22)12-11-24-16(18-12)15-5-2-10-23-15/h2,5,10-11,13-14,21H,1,3-4,6-9H2/t13-,14-/m0/s1
InChIKeyWAWQJRWMUYYYAA-KBPBESRZSA-N
XLogP2.07
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

furan-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 38909287
[2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 36708538
[2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82515785
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36708255
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759149
(2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
CID 87032302
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 47024879
[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]-(3-phenoxypyrrolidin-1-yl)methanone
CID 56790806
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
CID 36703236
1-[4-[(4S,5S)-5-hydroxy-1-(2-phenyl-1,3-thiazole-4-carbonyl)azepan-4-yl]piperazin-1-yl]ethanone
CID 110164459
[2-(furan-2-yl)-1,3-thiazol-4-yl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 75375290

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (CID 95759229) is [2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is O=C(c1csc(-c2ccco2)n1)N1CCN([C@H]2CCC[C@@H]2O)CC1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The InChIKey is WAWQJRWMUYYYAA-KBPBESRZSA-N. The full InChI is InChI=1S/C17H21N3O3S/c21-14-4-1-3-13(14)19-6-8-20(9-7-19)17(22)12-11-24-16(18-12)15-5-2-10-23-15/h2,5,10-11,13-14,21H,1,3-4,6-9H2/t13-,14-/m0/s1.
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone has a molecular weight of 347.44 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95759229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).