7-methyl-N-(2-methyl-3-nitrophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

C14H12N4O5S2 — CID 23004533

IUPAC7-methyl-N-(2-methyl-3-nitrophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C14H12N4O5S2/c1-8-10(4-3-5-11(8)18(20)21)16-25(22,23)12-9(2)15-14-17(13(12)19)6-7-24-14/h3-7,16H,1-2H3
InChIKeyDMCTUPFRYLWRLR-UHFFFAOYSA-N
MW380.41 g/mol
LogP2.08
Rot. Bonds4

About 7-methyl-N-(2-methyl-3-nitrophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

7-methyl-N-(2-methyl-3-nitrophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 23004533) has the molecular formula C14H12N4O5S2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 7-methyl-N-(2-methyl-3-nitrophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound Name7-methyl-N-(2-methyl-3-nitrophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID23004533
Molecular FormulaC14H12N4O5S2
Molecular Weight380.41 g/mol
Exact Mass380.02
IUPAC Name7-methyl-N-(2-methyl-3-nitrophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C14H12N4O5S2/c1-8-10(4-3-5-11(8)18(20)21)16-25(22,23)12-9(2)15-14-17(13(12)19)6-7-24-14/h3-7,16H,1-2H3
InChIKeyDMCTUPFRYLWRLR-UHFFFAOYSA-N
XLogP2.08
TPSA123.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-methyl-N-(2-methyl-3-nitrophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-fluoro-2-methylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 46274742
N-(3-chloro-4-methylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 22432189
N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 23004529
N-cyclopentyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 23004527
6-amino-N-(2,3-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62142991
2-methyl-1-nitro-3-(sulfamoylamino)benzene
CID 112573289
N-(2-methyl-3-nitrophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629391
N-(3-chloro-4-morpholin-4-ylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 15990182
5-bromo-3-methyl-N-(2-methyl-3-nitrophenyl)triazole-4-sulfonamide
CID 106467579
3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
CID 107810881
4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-nitrophenol
CID 43792201
(2-methyl-3-nitrophenyl)urea
CID 22416531

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-methyl-3-nitrophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of 7-methyl-N-(2-methyl-3-nitrophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 23004533) is 7-methyl-N-(2-methyl-3-nitrophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for 7-methyl-N-(2-methyl-3-nitrophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for 7-methyl-N-(2-methyl-3-nitrophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is Cc1nc2sccn2c(=O)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of 7-methyl-N-(2-methyl-3-nitrophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is DMCTUPFRYLWRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O5S2/c1-8-10(4-3-5-11(8)18(20)21)16-25(22,23)12-9(2)15-14-17(13(12)19)6-7-24-14/h3-7,16H,1-2H3.
What are the key properties of 7-methyl-N-(2-methyl-3-nitrophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
7-methyl-N-(2-methyl-3-nitrophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 380.41 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-methyl-3-nitrophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 23004533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).