2-amino-N-[4-(5-oxo-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-2-pyridinyl]acetamide

C16H18N8O2S — CID 71621170

IUPAC2-amino-N-[4-(5-oxo-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-2-pyridinyl]acetamide
SMILESNCC(=O)Nc1cc(-c2nn3c(=O)cc(N4CCNCC4)nc3s2)ccn1
InChIInChI=1S/C16H18N8O2S/c17-9-13(25)20-11-7-10(1-2-19-11)15-22-24-14(26)8-12(21-16(24)27-15)23-5-3-18-4-6-23/h1-2,7-8,18H,3-6,9,17H2,(H,19,20,25)
InChIKeyYTFMOSCBEAMELI-UHFFFAOYSA-N
MW386.44 g/mol
LogP-0.48
Rot. Bonds4

About 2-amino-N-[4-(5-oxo-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-2-pyridinyl]acetamide

2-amino-N-[4-(5-oxo-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-2-pyridinyl]acetamide (PubChem CID 71621170) has the molecular formula C16H18N8O2S and a molecular weight of 386.44 g/mol. Its IUPAC name is 2-amino-N-[4-(5-oxo-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-(5-oxo-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-2-pyridinyl]acetamide
PubChem CID71621170
Molecular FormulaC16H18N8O2S
Molecular Weight386.44 g/mol
Exact Mass386.13
IUPAC Name2-amino-N-[4-(5-oxo-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-2-pyridinyl]acetamide
SMILESNCC(=O)Nc1cc(-c2nn3c(=O)cc(N4CCNCC4)nc3s2)ccn1
InChIInChI=1S/C16H18N8O2S/c17-9-13(25)20-11-7-10(1-2-19-11)15-22-24-14(26)8-12(21-16(24)27-15)23-5-3-18-4-6-23/h1-2,7-8,18H,3-6,9,17H2,(H,19,20,25)
InChIKeyYTFMOSCBEAMELI-UHFFFAOYSA-N
XLogP-0.48
TPSA130.54 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(5-oxo-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-2-pyridinyl]acetamide?
The IUPAC name of 2-amino-N-[4-(5-oxo-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-2-pyridinyl]acetamide (CID 71621170) is 2-amino-N-[4-(5-oxo-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-(5-oxo-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-amino-N-[4-(5-oxo-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-2-pyridinyl]acetamide is NCC(=O)Nc1cc(-c2nn3c(=O)cc(N4CCNCC4)nc3s2)ccn1.
What is the InChIKey of 2-amino-N-[4-(5-oxo-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-2-pyridinyl]acetamide?
The InChIKey is YTFMOSCBEAMELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O2S/c17-9-13(25)20-11-7-10(1-2-19-11)15-22-24-14(26)8-12(21-16(24)27-15)23-5-3-18-4-6-23/h1-2,7-8,18H,3-6,9,17H2,(H,19,20,25).
What are the key properties of 2-amino-N-[4-(5-oxo-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-2-pyridinyl]acetamide?
2-amino-N-[4-(5-oxo-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-2-pyridinyl]acetamide has a molecular weight of 386.44 g/mol, XLogP of -0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(5-oxo-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 71621170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).