2-chloro-N-(5-oxo-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide

C15H13ClN4O2S — CID 18891564

IUPAC2-chloro-N-(5-oxo-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCC(C)c1nn2c(=O)c(NC(=O)c3ccccc3Cl)cnc2s1
InChIInChI=1S/C15H13ClN4O2S/c1-8(2)13-19-20-14(22)11(7-17-15(20)23-13)18-12(21)9-5-3-4-6-10(9)16/h3-8H,1-2H3,(H,18,21)
InChIKeyKBBXIKHYTHZAOA-UHFFFAOYSA-N
MW348.82 g/mol
LogP3.18
Rot. Bonds3

About 2-chloro-N-(5-oxo-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide

2-chloro-N-(5-oxo-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide (PubChem CID 18891564) has the molecular formula C15H13ClN4O2S and a molecular weight of 348.82 g/mol. Its IUPAC name is 2-chloro-N-(5-oxo-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(5-oxo-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
PubChem CID18891564
Molecular FormulaC15H13ClN4O2S
Molecular Weight348.82 g/mol
Exact Mass348.04
IUPAC Name2-chloro-N-(5-oxo-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCC(C)c1nn2c(=O)c(NC(=O)c3ccccc3Cl)cnc2s1
InChIInChI=1S/C15H13ClN4O2S/c1-8(2)13-19-20-14(22)11(7-17-15(20)23-13)18-12(21)9-5-3-4-6-10(9)16/h3-8H,1-2H3,(H,18,21)
InChIKeyKBBXIKHYTHZAOA-UHFFFAOYSA-N
XLogP3.18
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-(5-oxo-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-oxo-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The IUPAC name of 2-chloro-N-(5-oxo-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide (CID 18891564) is 2-chloro-N-(5-oxo-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(5-oxo-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for 2-chloro-N-(5-oxo-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide is CC(C)c1nn2c(=O)c(NC(=O)c3ccccc3Cl)cnc2s1.
What is the InChIKey of 2-chloro-N-(5-oxo-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The InChIKey is KBBXIKHYTHZAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2S/c1-8(2)13-19-20-14(22)11(7-17-15(20)23-13)18-12(21)9-5-3-4-6-10(9)16/h3-8H,1-2H3,(H,18,21).
What are the key properties of 2-chloro-N-(5-oxo-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide?
2-chloro-N-(5-oxo-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide has a molecular weight of 348.82 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-oxo-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 18891564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).