4-methyl-N-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

C16H23N5O2S — CID 49448670

IUPAC4-methyl-N-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCCCc1noc(CN2CCC(NC(=O)c3scnc3C)CC2)n1
InChIInChI=1S/C16H23N5O2S/c1-3-4-13-19-14(23-20-13)9-21-7-5-12(6-8-21)18-16(22)15-11(2)17-10-24-15/h10,12H,3-9H2,1-2H3,(H,18,22)
InChIKeyDTRDWCAKQXCXKK-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.18
Rot. Bonds6

About 4-methyl-N-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

4-methyl-N-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 49448670) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-methyl-N-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID49448670
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name4-methyl-N-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCCCc1noc(CN2CCC(NC(=O)c3scnc3C)CC2)n1
InChIInChI=1S/C16H23N5O2S/c1-3-4-13-19-14(23-20-13)9-21-7-5-12(6-8-21)18-16(22)15-11(2)17-10-24-15/h10,12H,3-9H2,1-2H3,(H,18,22)
InChIKeyDTRDWCAKQXCXKK-UHFFFAOYSA-N
XLogP2.18
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 49448670) is 4-methyl-N-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is CCCc1noc(CN2CCC(NC(=O)c3scnc3C)CC2)n1.
What is the InChIKey of 4-methyl-N-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is DTRDWCAKQXCXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-3-4-13-19-14(23-20-13)9-21-7-5-12(6-8-21)18-16(22)15-11(2)17-10-24-15/h10,12H,3-9H2,1-2H3,(H,18,22).
What are the key properties of 4-methyl-N-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49448670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).