5,7-dichloro-N-(3-chlorophenyl)-N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-2-sulfonamide

C12H7Cl3N4O2S2 — CID 26598883

IUPAC5,7-dichloro-N-(3-chlorophenyl)-N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-2-sulfonamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1nc2nc(Cl)nc(Cl)c2s1
InChIInChI=1S/C12H7Cl3N4O2S2/c1-19(7-4-2-3-6(13)5-7)23(20,21)12-18-10-8(22-12)9(14)16-11(15)17-10/h2-5H,1H3
InChIKeyGWKJAKLPPMIQQL-UHFFFAOYSA-N
MW409.71 g/mol
LogP3.87
Rot. Bonds3

About 5,7-dichloro-N-(3-chlorophenyl)-N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-2-sulfonamide

5,7-dichloro-N-(3-chlorophenyl)-N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-2-sulfonamide (PubChem CID 26598883) has the molecular formula C12H7Cl3N4O2S2 and a molecular weight of 409.71 g/mol. Its IUPAC name is 5,7-dichloro-N-(3-chlorophenyl)-N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name5,7-dichloro-N-(3-chlorophenyl)-N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-2-sulfonamide
PubChem CID26598883
Molecular FormulaC12H7Cl3N4O2S2
Molecular Weight409.71 g/mol
Exact Mass407.91
IUPAC Name5,7-dichloro-N-(3-chlorophenyl)-N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-2-sulfonamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1nc2nc(Cl)nc(Cl)c2s1
InChIInChI=1S/C12H7Cl3N4O2S2/c1-19(7-4-2-3-6(13)5-7)23(20,21)12-18-10-8(22-12)9(14)16-11(15)17-10/h2-5H,1H3
InChIKeyGWKJAKLPPMIQQL-UHFFFAOYSA-N
XLogP3.87
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.71
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-(3-chlorophenyl)-N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-2-sulfonamide?
The IUPAC name of 5,7-dichloro-N-(3-chlorophenyl)-N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-2-sulfonamide (CID 26598883) is 5,7-dichloro-N-(3-chlorophenyl)-N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-2-sulfonamide.
What is the SMILES notation for 5,7-dichloro-N-(3-chlorophenyl)-N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-2-sulfonamide?
The canonical SMILES for 5,7-dichloro-N-(3-chlorophenyl)-N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-2-sulfonamide is CN(c1cccc(Cl)c1)S(=O)(=O)c1nc2nc(Cl)nc(Cl)c2s1.
What is the InChIKey of 5,7-dichloro-N-(3-chlorophenyl)-N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-2-sulfonamide?
The InChIKey is GWKJAKLPPMIQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N4O2S2/c1-19(7-4-2-3-6(13)5-7)23(20,21)12-18-10-8(22-12)9(14)16-11(15)17-10/h2-5H,1H3.
What are the key properties of 5,7-dichloro-N-(3-chlorophenyl)-N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-2-sulfonamide?
5,7-dichloro-N-(3-chlorophenyl)-N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-2-sulfonamide has a molecular weight of 409.71 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-(3-chlorophenyl)-N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-2-sulfonamide is sourced from PubChem (CID 26598883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).