2-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C21H30N4O2S — CID 46978501

IUPAC2-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)NCC3(N4CCCCC4)CCC(C)CC3)cnc2s1
InChIInChI=1S/C21H30N4O2S/c1-15-6-8-21(9-7-15,24-10-4-3-5-11-24)14-23-18(26)17-12-22-20-25(19(17)27)13-16(2)28-20/h12-13,15H,3-11,14H2,1-2H3,(H,23,26)
InChIKeyWZIDHJYBFDSZEE-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.23
Rot. Bonds4

About 2-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

2-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46978501) has the molecular formula C21H30N4O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID46978501
Molecular FormulaC21H30N4O2S
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC Name2-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)NCC3(N4CCCCC4)CCC(C)CC3)cnc2s1
InChIInChI=1S/C21H30N4O2S/c1-15-6-8-21(9-7-15,24-10-4-3-5-11-24)14-23-18(26)17-12-22-20-25(19(17)27)13-16(2)28-20/h12-13,15H,3-11,14H2,1-2H3,(H,23,26)
InChIKeyWZIDHJYBFDSZEE-UHFFFAOYSA-N
XLogP3.23
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46978501) is 2-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cn2c(=O)c(C(=O)NCC3(N4CCCCC4)CCC(C)CC3)cnc2s1.
What is the InChIKey of 2-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is WZIDHJYBFDSZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2S/c1-15-6-8-21(9-7-15,24-10-4-3-5-11-24)14-23-18(26)17-12-22-20-25(19(17)27)13-16(2)28-20/h12-13,15H,3-11,14H2,1-2H3,(H,23,26).
What are the key properties of 2-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
2-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 402.56 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46978501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).