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

C20H28N4O2S — CID 46974714

IUPAC2-methyl-5-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)NCC3(N4CCCCC4)CCCCC3)cnc2s1
InChIInChI=1S/C20H28N4O2S/c1-15-13-24-18(26)16(12-21-19(24)27-15)17(25)22-14-20(8-4-2-5-9-20)23-10-6-3-7-11-23/h12-13H,2-11,14H2,1H3,(H,22,25)
InChIKeyRLPLDIMVZJPNDU-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.98
Rot. Bonds4

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

2-methyl-5-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46974714) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-methyl-5-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-5-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID46974714
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name2-methyl-5-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)NCC3(N4CCCCC4)CCCCC3)cnc2s1
InChIInChI=1S/C20H28N4O2S/c1-15-13-24-18(26)16(12-21-19(24)27-15)17(25)22-14-20(8-4-2-5-9-20)23-10-6-3-7-11-23/h12-13H,2-11,14H2,1H3,(H,22,25)
InChIKeyRLPLDIMVZJPNDU-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-5-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46974714) is 2-methyl-5-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-5-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-5-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cn2c(=O)c(C(=O)NCC3(N4CCCCC4)CCCCC3)cnc2s1.
What is the InChIKey of 2-methyl-5-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is RLPLDIMVZJPNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-15-13-24-18(26)16(12-21-19(24)27-15)17(25)22-14-20(8-4-2-5-9-20)23-10-6-3-7-11-23/h12-13H,2-11,14H2,1H3,(H,22,25).
What are the key properties of 2-methyl-5-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
2-methyl-5-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46974714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).