N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

C16H24N6O2S — CID 53053779

IUPACN-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCC1CCN(c2nn3c(C(=O)NCCN(C)C)cc(=O)nc3s2)CC1
InChIInChI=1S/C16H24N6O2S/c1-11-4-7-21(8-5-11)16-19-22-12(10-13(23)18-15(22)25-16)14(24)17-6-9-20(2)3/h10-11H,4-9H2,1-3H3,(H,17,24)
InChIKeyBWCNDMJEHDDTEA-UHFFFAOYSA-N
MW364.48 g/mol
LogP0.68
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide (PubChem CID 53053779) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
PubChem CID53053779
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCC1CCN(c2nn3c(C(=O)NCCN(C)C)cc(=O)nc3s2)CC1
InChIInChI=1S/C16H24N6O2S/c1-11-4-7-21(8-5-11)16-19-22-12(10-13(23)18-15(22)25-16)14(24)17-6-9-20(2)3/h10-11H,4-9H2,1-3H3,(H,17,24)
InChIKeyBWCNDMJEHDDTEA-UHFFFAOYSA-N
XLogP0.68
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide (CID 53053779) is N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide is CC1CCN(c2nn3c(C(=O)NCCN(C)C)cc(=O)nc3s2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?
The InChIKey is BWCNDMJEHDDTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-11-4-7-21(8-5-11)16-19-22-12(10-13(23)18-15(22)25-16)14(24)17-6-9-20(2)3/h10-11H,4-9H2,1-3H3,(H,17,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide has a molecular weight of 364.48 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53053779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).