N-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide

C20H28N4O2S — CID 86860948

IUPACN-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESCc1csc2nc(CN3CCC(NC(=O)C4CCCCC4)CC3)cc(=O)n12
InChIInChI=1S/C20H28N4O2S/c1-14-13-27-20-22-17(11-18(25)24(14)20)12-23-9-7-16(8-10-23)21-19(26)15-5-3-2-4-6-15/h11,13,15-16H,2-10,12H2,1H3,(H,21,26)
InChIKeyRRDCYMCFOXIAGA-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.73
Rot. Bonds4

About N-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide

N-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 86860948) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
PubChem CID86860948
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC NameN-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESCc1csc2nc(CN3CCC(NC(=O)C4CCCCC4)CC3)cc(=O)n12
InChIInChI=1S/C20H28N4O2S/c1-14-13-27-20-22-17(11-18(25)24(14)20)12-23-9-7-16(8-10-23)21-19(26)15-5-3-2-4-6-15/h11,13,15-16H,2-10,12H2,1H3,(H,21,26)
InChIKeyRRDCYMCFOXIAGA-UHFFFAOYSA-N
XLogP2.73
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 20893031
CID 20893031
CID 20893034
CID 20893034
CID 168288149
CID 168288149
CID 16933419
CID 16933419
CID 16933452
CID 16933452
CID 16933469
CID 16933469
CID 20892960
CID 20892960
CID 20892963
CID 20892963
CID 20892975
CID 20892975
CID 20893068
CID 20893068
CID 47056226
CID 47056226
CID 16867916
CID 16867916

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide (CID 86860948) is N-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide is Cc1csc2nc(CN3CCC(NC(=O)C4CCCCC4)CC3)cc(=O)n12.
What is the InChIKey of N-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is RRDCYMCFOXIAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-14-13-27-20-22-17(11-18(25)24(14)20)12-23-9-7-16(8-10-23)21-19(26)15-5-3-2-4-6-15/h11,13,15-16H,2-10,12H2,1H3,(H,21,26).
What are the key properties of N-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
N-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 388.54 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 86860948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).