2,4-dimethyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide

C14H19N5O2S — CID 131940923

IUPAC2,4-dimethyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CCN(c3cnsn3)CC2)o1
InChIInChI=1S/C14H19N5O2S/c1-9-13(21-10(2)17-9)14(20)15-7-11-3-5-19(6-4-11)12-8-16-22-18-12/h8,11H,3-7H2,1-2H3,(H,15,20)
InChIKeyANNIPFSORWDFDC-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.79
Rot. Bonds4

About 2,4-dimethyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 131940923) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID131940923
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2,4-dimethyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CCN(c3cnsn3)CC2)o1
InChIInChI=1S/C14H19N5O2S/c1-9-13(21-10(2)17-9)14(20)15-7-11-3-5-19(6-4-11)12-8-16-22-18-12/h8,11H,3-7H2,1-2H3,(H,15,20)
InChIKeyANNIPFSORWDFDC-UHFFFAOYSA-N
XLogP1.79
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide (CID 131940923) is 2,4-dimethyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCC2CCN(c3cnsn3)CC2)o1.
What is the InChIKey of 2,4-dimethyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is ANNIPFSORWDFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-9-13(21-10(2)17-9)14(20)15-7-11-3-5-19(6-4-11)12-8-16-22-18-12/h8,11H,3-7H2,1-2H3,(H,15,20).
What are the key properties of 2,4-dimethyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 131940923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).