4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C25H20N6O3S2 — CID 134134683

IUPAC4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESNc1ccccc1Oc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1
InChIInChI=1S/C25H20N6O3S2/c26-21-3-1-2-4-23(21)34-19-9-5-17(6-10-19)22-13-14-27-24(30-22)29-18-7-11-20(12-8-18)36(32,33)31-25-28-15-16-35-25/h1-16H,26H2,(H,28,31)(H,27,29,30)
InChIKeyNKWVIUBWZHRWDM-UHFFFAOYSA-N
MW516.61 g/mol
LogP5.52
Rot. Bonds8

About 4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 134134683) has the molecular formula C25H20N6O3S2 and a molecular weight of 516.61 g/mol. Its IUPAC name is 4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID134134683
Molecular FormulaC25H20N6O3S2
Molecular Weight516.61 g/mol
Exact Mass516.10
IUPAC Name4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESNc1ccccc1Oc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1
InChIInChI=1S/C25H20N6O3S2/c26-21-3-1-2-4-23(21)34-19-9-5-17(6-10-19)22-13-14-27-24(30-22)29-18-7-11-20(12-8-18)36(32,33)31-25-28-15-16-35-25/h1-16H,26H2,(H,28,31)(H,27,29,30)
InChIKeyNKWVIUBWZHRWDM-UHFFFAOYSA-N
XLogP5.52
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.61
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)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

N-(3-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9925060
4-(4-(4-Methoxyphenyl)pyrimidin-2-ylamino)benzenesulfonamide
CID 11667571
4-[2-(2-aminopyrimidin-4-yl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide
CID 71719389
3-cyano-N-(1,3-thiazol-2-yl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]phenoxy]benzenesulfonamide
CID 71719987
4-[[4-[4-(2-Aminophenoxy)phenyl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 134146398
4-[[4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 145966577
4-[[4-(4-chloro-2-ethoxyphenyl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 145971368
4-[[4-(2-fluoro-6-methoxyphenyl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 145973930
4-[[4-(2-ethoxy-4-fluorophenyl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 145973951
4-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 145976565
4-[2-pyrimidin-5-yl-4-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 89761620
N-(2,6-Dimethoxy-pyrimidin-4-yl)-4-[4-(4-methoxy-phenyl)-thiazol-2-ylamino]-benzenesulfonamide
CID 12004705

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 134134683) is 4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is Nc1ccccc1Oc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1.
What is the InChIKey of 4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is NKWVIUBWZHRWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O3S2/c26-21-3-1-2-4-23(21)34-19-9-5-17(6-10-19)22-13-14-27-24(30-22)29-18-7-11-20(12-8-18)36(32,33)31-25-28-15-16-35-25/h1-16H,26H2,(H,28,31)(H,27,29,30).
What are the key properties of 4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 516.61 g/mol, XLogP of 5.52, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 134134683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).