2-methyl-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C21H24N4O2S — CID 92627356

IUPAC2-methyl-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)cnc2s1
InChIInChI=1S/C21H24N4O2S/c1-14-6-3-4-9-24(14)13-16-7-5-8-17(10-16)23-19(26)18-11-22-21-25(20(18)27)12-15(2)28-21/h5,7-8,10-12,14H,3-4,6,9,13H2,1-2H3,(H,23,26)/t14-/m1/s1
InChIKeyHGKFHXYNRKDHGV-CQSZACIVSA-N
MW396.52 g/mol
LogP3.69
Rot. Bonds4

About 2-methyl-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

2-methyl-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 92627356) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-methyl-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID92627356
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name2-methyl-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)cnc2s1
InChIInChI=1S/C21H24N4O2S/c1-14-6-3-4-9-24(14)13-16-7-5-8-17(10-16)23-19(26)18-11-22-21-25(20(18)27)12-15(2)28-21/h5,7-8,10-12,14H,3-4,6,9,13H2,1-2H3,(H,23,26)/t14-/m1/s1
InChIKeyHGKFHXYNRKDHGV-CQSZACIVSA-N
XLogP3.69
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 92627356) is 2-methyl-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cn2c(=O)c(C(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)cnc2s1.
What is the InChIKey of 2-methyl-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is HGKFHXYNRKDHGV-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-14-6-3-4-9-24(14)13-16-7-5-8-17(10-16)23-19(26)18-11-22-21-25(20(18)27)12-15(2)28-21/h5,7-8,10-12,14H,3-4,6,9,13H2,1-2H3,(H,23,26)/t14-/m1/s1.
What are the key properties of 2-methyl-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
2-methyl-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 92627356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).