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

C17H21N7O2S — CID 120642007

IUPAC2,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)Nc3nc(C4CCNCC4)nn3C)c(=O)n2c1C
InChIInChI=1S/C17H21N7O2S/c1-9-10(2)27-17-19-8-12(15(26)24(9)17)14(25)21-16-20-13(22-23(16)3)11-4-6-18-7-5-11/h8,11,18H,4-7H2,1-3H3,(H,20,21,22,25)
InChIKeyMGEUBDRANBKIBQ-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.22
Rot. Bonds3

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

2,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 120642007) has the molecular formula C17H21N7O2S and a molecular weight of 387.47 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID120642007
Molecular FormulaC17H21N7O2S
Molecular Weight387.47 g/mol
Exact Mass387.15
IUPAC Name2,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)Nc3nc(C4CCNCC4)nn3C)c(=O)n2c1C
InChIInChI=1S/C17H21N7O2S/c1-9-10(2)27-17-19-8-12(15(26)24(9)17)14(25)21-16-20-13(22-23(16)3)11-4-6-18-7-5-11/h8,11,18H,4-7H2,1-3H3,(H,20,21,22,25)
InChIKeyMGEUBDRANBKIBQ-UHFFFAOYSA-N
XLogP1.22
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 120642007) is 2,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1sc2ncc(C(=O)Nc3nc(C4CCNCC4)nn3C)c(=O)n2c1C.
What is the InChIKey of 2,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is MGEUBDRANBKIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2S/c1-9-10(2)27-17-19-8-12(15(26)24(9)17)14(25)21-16-20-13(22-23(16)3)11-4-6-18-7-5-11/h8,11,18H,4-7H2,1-3H3,(H,20,21,22,25).
What are the key properties of 2,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
2,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 120642007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).