2-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

C18H18F2N4OS — CID 92598727

IUPAC2-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1ncsc1-c1nnc([C@H]2CCCN(Cc3cccc(F)c3F)C2)o1
InChIInChI=1S/C18H18F2N4OS/c1-11-16(26-10-21-11)18-23-22-17(25-18)13-5-3-7-24(9-13)8-12-4-2-6-14(19)15(12)20/h2,4,6,10,13H,3,5,7-9H2,1H3/t13-/m0/s1
InChIKeyRQNUJRYMHMGNNB-ZDUSSCGKSA-N
MW376.43 g/mol
LogP4.16
Rot. Bonds4

About 2-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

2-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (PubChem CID 92598727) has the molecular formula C18H18F2N4OS and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
PubChem CID92598727
Molecular FormulaC18H18F2N4OS
Molecular Weight376.43 g/mol
Exact Mass376.12
IUPAC Name2-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1ncsc1-c1nnc([C@H]2CCCN(Cc3cccc(F)c3F)C2)o1
InChIInChI=1S/C18H18F2N4OS/c1-11-16(26-10-21-11)18-23-22-17(25-18)13-5-3-7-24(9-13)8-12-4-2-6-14(19)15(12)20/h2,4,6,10,13H,3,5,7-9H2,1H3/t13-/m0/s1
InChIKeyRQNUJRYMHMGNNB-ZDUSSCGKSA-N
XLogP4.16
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 110235609
2-(4-methyl-1,3-thiazol-5-yl)-5-[(3S)-1-(quinolin-8-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole
CID 92598737
2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 110243014
2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849716
(2-fluorophenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 92598801
2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole
CID 110236060
1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 127247399
2-(2-methylphenyl)-1-[2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 110217600
2-(3-methylphenyl)-1-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 92560617
2-(4-fluorophenyl)-1-[(2S)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92598778
2-(3-methylphenyl)-1-[(2S)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92560668
2-(3-methylphenyl)-1-[2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 110217599

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (CID 92598727) is 2-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is Cc1ncsc1-c1nnc([C@H]2CCCN(Cc3cccc(F)c3F)C2)o1.
What is the InChIKey of 2-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is RQNUJRYMHMGNNB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18F2N4OS/c1-11-16(26-10-21-11)18-23-22-17(25-18)13-5-3-7-24(9-13)8-12-4-2-6-14(19)15(12)20/h2,4,6,10,13H,3,5,7-9H2,1H3/t13-/m0/s1.
What are the key properties of 2-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
2-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 376.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 92598727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).