(E)-2-phenyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]ethenesulfonamide

C22H18N4O2S2 — CID 73168633

IUPAC(E)-2-phenyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1
InChIInChI=1S/C22H18N4O2S2/c27-30(28,14-12-17-5-2-1-3-6-17)26-19-10-8-18(9-11-19)21-16-29-22(25-21)24-20-7-4-13-23-15-20/h1-16,26H,(H,24,25)/b14-12+
InChIKeyZSWNUHITHULNPW-WYMLVPIESA-N
MW434.55 g/mol
LogP5.36
Rot. Bonds7

About (E)-2-phenyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]ethenesulfonamide

(E)-2-phenyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]ethenesulfonamide (PubChem CID 73168633) has the molecular formula C22H18N4O2S2 and a molecular weight of 434.55 g/mol. Its IUPAC name is (E)-2-phenyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-phenyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]ethenesulfonamide
PubChem CID73168633
Molecular FormulaC22H18N4O2S2
Molecular Weight434.55 g/mol
Exact Mass434.09
IUPAC Name(E)-2-phenyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1
InChIInChI=1S/C22H18N4O2S2/c27-30(28,14-12-17-5-2-1-3-6-17)26-19-10-8-18(9-11-19)21-16-29-22(25-21)24-20-7-4-13-23-15-20/h1-16,26H,(H,24,25)/b14-12+
InChIKeyZSWNUHITHULNPW-WYMLVPIESA-N
XLogP5.36
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.55
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (E)-2-phenyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]ethenesulfonamide 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-[4-[2-[[(E)-2-phenylethenyl]sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 8504630
N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
N-(6-phenyl-3-pyridinyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791761
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073
N-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 167872617
(E)-2-phenyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethenesulfonamide
CID 122286209
N-pyridin-2-yl-4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine;N-pyridin-3-yl-4-[3-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 18428300
2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 72720053
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide
CID 110504077
3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 58791547
N-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166340287
2-[2-phenoxy-5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]acetaldehyde
CID 87483194

Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]ethenesulfonamide?
The IUPAC name of (E)-2-phenyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]ethenesulfonamide (CID 73168633) is (E)-2-phenyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-phenyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]ethenesulfonamide?
The canonical SMILES for (E)-2-phenyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]ethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1.
What is the InChIKey of (E)-2-phenyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]ethenesulfonamide?
The InChIKey is ZSWNUHITHULNPW-WYMLVPIESA-N. The full InChI is InChI=1S/C22H18N4O2S2/c27-30(28,14-12-17-5-2-1-3-6-17)26-19-10-8-18(9-11-19)21-16-29-22(25-21)24-20-7-4-13-23-15-20/h1-16,26H,(H,24,25)/b14-12+.
What are the key properties of (E)-2-phenyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]ethenesulfonamide?
(E)-2-phenyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]ethenesulfonamide has a molecular weight of 434.55 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]ethenesulfonamide is sourced from PubChem (CID 73168633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).