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

C14H12N4O2S — CID 2233157

IUPAC4-methyl-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cnc3sc(C)nn3c2=O)cc1
InChIInChI=1S/C14H12N4O2S/c1-8-3-5-10(6-4-8)12(19)16-11-7-15-14-18(13(11)20)17-9(2)21-14/h3-7H,1-2H3,(H,16,19)
InChIKeyMLXGFKLTQYTDMA-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.02
Rot. Bonds2

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

4-methyl-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide (PubChem CID 2233157) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
PubChem CID2233157
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name4-methyl-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cnc3sc(C)nn3c2=O)cc1
InChIInChI=1S/C14H12N4O2S/c1-8-3-5-10(6-4-8)12(19)16-11-7-15-14-18(13(11)20)17-9(2)21-14/h3-7H,1-2H3,(H,16,19)
InChIKeyMLXGFKLTQYTDMA-UHFFFAOYSA-N
XLogP2.02
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 3971209
2-methyl-N-(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
CID 18891468
4-fluoro-N-(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 2239640
4-fluoro-N-(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
CID 2380799
N-(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-2-chlorobenzamide
CID 18891516
2-chloro-N-(2-isopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 18891564
4-fluoro-N-(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 801344
2-fluoro-N-{7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl}benzamide
CID 16933429
4-fluoro-N-{7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl}benzamide
CID 16933431
N-(4-fluorobenzyl)-3-[(2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 16933537
4-methyl-N-(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
CID 18891464
2-chloro-N-[2-(methoxymethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]benzamide
CID 18891499

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The IUPAC name of 4-methyl-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide (CID 2233157) is 4-methyl-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for 4-methyl-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide is Cc1ccc(C(=O)Nc2cnc3sc(C)nn3c2=O)cc1.
What is the InChIKey of 4-methyl-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The InChIKey is MLXGFKLTQYTDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-8-3-5-10(6-4-8)12(19)16-11-7-15-14-18(13(11)20)17-9(2)21-14/h3-7H,1-2H3,(H,16,19).
What are the key properties of 4-methyl-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide?
4-methyl-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide has a molecular weight of 300.34 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 2233157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).