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

C15H21N5O2S — CID 53053786

IUPAC2-(4-methylpiperidin-1-yl)-7-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCC1CCN(c2nn3c(C(=O)NC(C)C)cc(=O)nc3s2)CC1
InChIInChI=1S/C15H21N5O2S/c1-9(2)16-13(22)11-8-12(21)17-14-20(11)18-15(23-14)19-6-4-10(3)5-7-19/h8-10H,4-7H2,1-3H3,(H,16,22)
InChIKeyKTTXNBPUTCKGHE-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.53
Rot. Bonds3

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

2-(4-methylpiperidin-1-yl)-7-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide (PubChem CID 53053786) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-7-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-7-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
PubChem CID53053786
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-(4-methylpiperidin-1-yl)-7-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCC1CCN(c2nn3c(C(=O)NC(C)C)cc(=O)nc3s2)CC1
InChIInChI=1S/C15H21N5O2S/c1-9(2)16-13(22)11-8-12(21)17-14-20(11)18-15(23-14)19-6-4-10(3)5-7-19/h8-10H,4-7H2,1-3H3,(H,16,22)
InChIKeyKTTXNBPUTCKGHE-UHFFFAOYSA-N
XLogP1.53
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-7-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-7-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide (CID 53053786) is 2-(4-methylpiperidin-1-yl)-7-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-7-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-7-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide is CC1CCN(c2nn3c(C(=O)NC(C)C)cc(=O)nc3s2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-7-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?
The InChIKey is KTTXNBPUTCKGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-9(2)16-13(22)11-8-12(21)17-14-20(11)18-15(23-14)19-6-4-10(3)5-7-19/h8-10H,4-7H2,1-3H3,(H,16,22).
What are the key properties of 2-(4-methylpiperidin-1-yl)-7-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?
2-(4-methylpiperidin-1-yl)-7-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-7-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53053786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).