4-[(7-anilino-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)amino]benzenesulfonamide

C17H14N6O2S2 — CID 44592167

IUPAC4-[(7-anilino-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc3ncnc(Nc4ccccc4)c3s2)cc1
InChIInChI=1S/C17H14N6O2S2/c18-27(24,25)13-8-6-12(7-9-13)22-17-23-16-14(26-17)15(19-10-20-16)21-11-4-2-1-3-5-11/h1-10H,(H2,18,24,25)(H2,19,20,21,22,23)
InChIKeyVFKYFVARGWUQHK-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.22
Rot. Bonds5

About 4-[(7-anilino-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)amino]benzenesulfonamide

4-[(7-anilino-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)amino]benzenesulfonamide (PubChem CID 44592167) has the molecular formula C17H14N6O2S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-[(7-anilino-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(7-anilino-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)amino]benzenesulfonamide
PubChem CID44592167
Molecular FormulaC17H14N6O2S2
Molecular Weight398.47 g/mol
Exact Mass398.06
IUPAC Name4-[(7-anilino-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc3ncnc(Nc4ccccc4)c3s2)cc1
InChIInChI=1S/C17H14N6O2S2/c18-27(24,25)13-8-6-12(7-9-13)22-17-23-16-14(26-17)15(19-10-20-16)21-11-4-2-1-3-5-11/h1-10H,(H2,18,24,25)(H2,19,20,21,22,23)
InChIKeyVFKYFVARGWUQHK-UHFFFAOYSA-N
XLogP3.22
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[(7-anilino-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)amino]benzenesulfonamide 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

4-[[4-[2-(Methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 71562397
4-(7-(3-chloro-4-fluorophenylamino)thiazolo[4,5-d]pyrimidin-2-ylamino)-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 16037089
4-(7-(2,6-Difluorophenylamino)thiazolo[4,5-d]pyrimidin-2-ylamino)benzenesulfonamide
CID 16037278
4-(7-(3-Chlorophenylamino)thiazolo[4,5-d]pyrimidin-2-ylamino)benzenesulfonamide
CID 44592210
4-(7-(3-Bromophenylamino)thiazolo[4,5-d]pyrimidin-2-ylamino)benzenesulfonamide
CID 44592211
4-(7-(3-Chloro-4-fluorophenylamino)thiazolo[4,5-d]pyrimidin-2-ylamino)benzenesulfonamide
CID 44592212
4-(7-(m-Tolylamino)thiazolo[4,5-d]pyrimidin-2-ylamino)benzenesulfonamide
CID 44592213
N7-(3-chlorophenyl)-N2-phenylthiazolo[4,5-d]pyrimidine-2,7-diamine
CID 44592255
6-Methyl-N-(4-(methylsulfonyl)phenyl)thieno[2,3-d]pyrimidin-4-amine
CID 166175743
4-(2-(2,6-Dichlorophenylamino)thiazolo[5,4-d]pyrimidin-7-ylamino)benzenesulfonamide
CID 44569893
4-[[4-(1,3-Benzothiazol-2-ylamino)-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 155511456
4-[[4-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 155524306

Frequently Asked Questions

What is the IUPAC name of 4-[(7-anilino-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(7-anilino-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)amino]benzenesulfonamide (CID 44592167) is 4-[(7-anilino-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(7-anilino-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(7-anilino-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc3ncnc(Nc4ccccc4)c3s2)cc1.
What is the InChIKey of 4-[(7-anilino-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)amino]benzenesulfonamide?
The InChIKey is VFKYFVARGWUQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S2/c18-27(24,25)13-8-6-12(7-9-13)22-17-23-16-14(26-17)15(19-10-20-16)21-11-4-2-1-3-5-11/h1-10H,(H2,18,24,25)(H2,19,20,21,22,23).
What are the key properties of 4-[(7-anilino-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)amino]benzenesulfonamide?
4-[(7-anilino-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)amino]benzenesulfonamide has a molecular weight of 398.47 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-anilino-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 44592167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).