2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-4,5-dimethyl-1,3-thiazole

C13H20FN3OS — CID 126856292

IUPAC2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(N2CCN([C@@H]3COC[C@H]3F)CC2)sc1C
InChIInChI=1S/C13H20FN3OS/c1-9-10(2)19-13(15-9)17-5-3-16(4-6-17)12-8-18-7-11(12)14/h11-12H,3-8H2,1-2H3/t11-,12-/m1/s1
InChIKeyPRMCPMCRWYISSX-VXGBXAGGSA-N
MW285.39 g/mol
LogP1.62
Rot. Bonds2

About 2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-4,5-dimethyl-1,3-thiazole

2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-4,5-dimethyl-1,3-thiazole (PubChem CID 126856292) has the molecular formula C13H20FN3OS and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-4,5-dimethyl-1,3-thiazole
PubChem CID126856292
Molecular FormulaC13H20FN3OS
Molecular Weight285.39 g/mol
Exact Mass285.13
IUPAC Name2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(N2CCN([C@@H]3COC[C@H]3F)CC2)sc1C
InChIInChI=1S/C13H20FN3OS/c1-9-10(2)19-13(15-9)17-5-3-16(4-6-17)12-8-18-7-11(12)14/h11-12H,3-8H2,1-2H3/t11-,12-/m1/s1
InChIKeyPRMCPMCRWYISSX-VXGBXAGGSA-N
XLogP1.62
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 23076518
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CID 126856157
CID 126856157
CID 126856332
CID 126856332
CID 65169426
CID 65169426
CID 142273119
CID 142273119
CID 143922284
CID 143922284
CID 154002466
CID 154002466
CID 161621354
CID 161621354
CID 170067732
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CID 60641960
CID 60641960

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-4,5-dimethyl-1,3-thiazole (CID 126856292) is 2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-4,5-dimethyl-1,3-thiazole is Cc1nc(N2CCN([C@@H]3COC[C@H]3F)CC2)sc1C.
What is the InChIKey of 2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-4,5-dimethyl-1,3-thiazole?
The InChIKey is PRMCPMCRWYISSX-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H20FN3OS/c1-9-10(2)19-13(15-9)17-5-3-16(4-6-17)12-8-18-7-11(12)14/h11-12H,3-8H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of 2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-4,5-dimethyl-1,3-thiazole?
2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-4,5-dimethyl-1,3-thiazole has a molecular weight of 285.39 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 126856292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).