3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

C15H21N5O2S — CID 154737089

IUPAC3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)c2sc3nccn3c2C)CC1
InChIInChI=1S/C15H21N5O2S/c1-10-13(23-15-17-5-8-20(10)15)14(22)18-11-3-6-19(7-4-11)9-12(21)16-2/h5,8,11H,3-4,6-7,9H2,1-2H3,(H,16,21)(H,18,22)
InChIKeyQOIMKMKCXFAMFA-UHFFFAOYSA-N
MW335.43 g/mol
LogP0.64
Rot. Bonds4

About 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 154737089) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID154737089
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)c2sc3nccn3c2C)CC1
InChIInChI=1S/C15H21N5O2S/c1-10-13(23-15-17-5-8-20(10)15)14(22)18-11-3-6-19(7-4-11)9-12(21)16-2/h5,8,11H,3-4,6-7,9H2,1-2H3,(H,16,21)(H,18,22)
InChIKeyQOIMKMKCXFAMFA-UHFFFAOYSA-N
XLogP0.64
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 154737089) is 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide is CNC(=O)CN1CCC(NC(=O)c2sc3nccn3c2C)CC1.
What is the InChIKey of 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is QOIMKMKCXFAMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-10-13(23-15-17-5-8-20(10)15)14(22)18-11-3-6-19(7-4-11)9-12(21)16-2/h5,8,11H,3-4,6-7,9H2,1-2H3,(H,16,21)(H,18,22).
What are the key properties of 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 154737089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).