7-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

C16H17N5O2S2 — CID 53053747

IUPAC7-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESO=C(NCc1cccs1)c1cc(=O)nc2sc(N3CCCCC3)nn12
InChIInChI=1S/C16H17N5O2S2/c22-13-9-12(14(23)17-10-11-5-4-8-24-11)21-15(18-13)25-16(19-21)20-6-2-1-3-7-20/h4-5,8-9H,1-3,6-7,10H2,(H,17,23)
InChIKeyQNLOSRUPNKNAQL-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.13
Rot. Bonds4

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

7-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide (PubChem CID 53053747) has the molecular formula C16H17N5O2S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 7-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
PubChem CID53053747
Molecular FormulaC16H17N5O2S2
Molecular Weight375.48 g/mol
Exact Mass375.08
IUPAC Name7-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESO=C(NCc1cccs1)c1cc(=O)nc2sc(N3CCCCC3)nn12
InChIInChI=1S/C16H17N5O2S2/c22-13-9-12(14(23)17-10-11-5-4-8-24-11)21-15(18-13)25-16(19-21)20-6-2-1-3-7-20/h4-5,8-9H,1-3,6-7,10H2,(H,17,23)
InChIKeyQNLOSRUPNKNAQL-UHFFFAOYSA-N
XLogP2.13
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide (CID 53053747) is 7-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide is O=C(NCc1cccs1)c1cc(=O)nc2sc(N3CCCCC3)nn12.
What is the InChIKey of 7-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?
The InChIKey is QNLOSRUPNKNAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S2/c22-13-9-12(14(23)17-10-11-5-4-8-24-11)21-15(18-13)25-16(19-21)20-6-2-1-3-7-20/h4-5,8-9H,1-3,6-7,10H2,(H,17,23).
What are the key properties of 7-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?
7-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53053747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).