N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

C15H11N5O2S2 — CID 74248399

IUPACN-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)c1cc(=O)nc2sccn12
InChIInChI=1S/C15H11N5O2S2/c1-19(8-9-2-3-10-11(6-9)18-24-17-10)14(22)12-7-13(21)16-15-20(12)4-5-23-15/h2-7H,8H2,1H3
InChIKeyDEHLSJXUZUAUJW-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.03
Rot. Bonds3

About N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (PubChem CID 74248399) has the molecular formula C15H11N5O2S2 and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
PubChem CID74248399
Molecular FormulaC15H11N5O2S2
Molecular Weight357.42 g/mol
Exact Mass357.04
IUPAC NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)c1cc(=O)nc2sccn12
InChIInChI=1S/C15H11N5O2S2/c1-19(8-9-2-3-10-11(6-9)18-24-17-10)14(22)12-7-13(21)16-15-20(12)4-5-23-15/h2-7H,8H2,1H3
InChIKeyDEHLSJXUZUAUJW-UHFFFAOYSA-N
XLogP2.03
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 99927064
1-(2,1,3-benzothiadiazol-5-ylmethyl)-1-methyl-3-[(2R)-3-methylbutan-2-yl]urea
CID 121497601
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 74238358
7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid
CID 3335218
N-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 97153544
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyltetrazolo[1,5-a]pyridine-7-carboxamide
CID 74238022
methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
CID 648108
2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide
CID 74247903
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 72925004
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
CID 97122400
(2S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-ethoxy-N-methylpropanamide
CID 126423596
(2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-ethoxy-N-methylpropanamide
CID 126423595

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (CID 74248399) is N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is CN(Cc1ccc2nsnc2c1)C(=O)c1cc(=O)nc2sccn12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The InChIKey is DEHLSJXUZUAUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2S2/c1-19(8-9-2-3-10-11(6-9)18-24-17-10)14(22)12-7-13(21)16-15-20(12)4-5-23-15/h2-7H,8H2,1H3.
What are the key properties of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 74248399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).