N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidine-2-carboxamide

C22H26FN5O2S — CID 91952093

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidine-2-carboxamide
SMILESCCc1nc(-c2ccc(N3CCCCC3C(=O)NCc3nc(C)c(C)s3)c(F)c2)no1
InChIInChI=1S/C22H26FN5O2S/c1-4-19-26-21(27-30-19)15-8-9-17(16(23)11-15)28-10-6-5-7-18(28)22(29)24-12-20-25-13(2)14(3)31-20/h8-9,11,18H,4-7,10,12H2,1-3H3,(H,24,29)
InChIKeyWMVGYXKZXKTHRT-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.19
Rot. Bonds6

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidine-2-carboxamide

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidine-2-carboxamide (PubChem CID 91952093) has the molecular formula C22H26FN5O2S and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidine-2-carboxamide
PubChem CID91952093
Molecular FormulaC22H26FN5O2S
Molecular Weight443.55 g/mol
Exact Mass443.18
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidine-2-carboxamide
SMILESCCc1nc(-c2ccc(N3CCCCC3C(=O)NCc3nc(C)c(C)s3)c(F)c2)no1
InChIInChI=1S/C22H26FN5O2S/c1-4-19-26-21(27-30-19)15-8-9-17(16(23)11-15)28-10-6-5-7-18(28)22(29)24-12-20-25-13(2)14(3)31-20/h8-9,11,18H,4-7,10,12H2,1-3H3,(H,24,29)
InChIKeyWMVGYXKZXKTHRT-UHFFFAOYSA-N
XLogP4.19
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-2-carboxamide
CID 91952095
1-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 91952060
1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 91952127
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 91952117
(2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide
CID 95990027
1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 46366026
N-benzyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide
CID 46366042
(3S)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93075482
(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92896092
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexanecarboxamide
CID 110293437
cyclohexyl-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53033549
tert-butyl 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 110632203

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidine-2-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidine-2-carboxamide (CID 91952093) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidine-2-carboxamide is CCc1nc(-c2ccc(N3CCCCC3C(=O)NCc3nc(C)c(C)s3)c(F)c2)no1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidine-2-carboxamide?
The InChIKey is WMVGYXKZXKTHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2S/c1-4-19-26-21(27-30-19)15-8-9-17(16(23)11-15)28-10-6-5-7-18(28)22(29)24-12-20-25-13(2)14(3)31-20/h8-9,11,18H,4-7,10,12H2,1-3H3,(H,24,29).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidine-2-carboxamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidine-2-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidine-2-carboxamide is sourced from PubChem (CID 91952093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).