N-[3-[5-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-2-yl]phenyl]-2-cyanobenzenesulfonamide

C19H16N4O2S2 — CID 56650942

IUPACN-[3-[5-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-2-yl]phenyl]-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1cccc(-c2ncc([C@H]3C[C@@H]3N)s2)c1
InChIInChI=1S/C19H16N4O2S2/c20-10-13-4-1-2-7-18(13)27(24,25)23-14-6-3-5-12(8-14)19-22-11-17(26-19)15-9-16(15)21/h1-8,11,15-16,23H,9,21H2/t15-,16-/m0/s1
InChIKeyRASNYBXXUYUYMQ-HOTGVXAUSA-N
MW396.50 g/mol
LogP3.30
Rot. Bonds5

About N-[3-[5-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-2-yl]phenyl]-2-cyanobenzenesulfonamide

N-[3-[5-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-2-yl]phenyl]-2-cyanobenzenesulfonamide (PubChem CID 56650942) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-[3-[5-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-2-yl]phenyl]-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[5-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-2-yl]phenyl]-2-cyanobenzenesulfonamide
PubChem CID56650942
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC NameN-[3-[5-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-2-yl]phenyl]-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1cccc(-c2ncc([C@H]3C[C@@H]3N)s2)c1
InChIInChI=1S/C19H16N4O2S2/c20-10-13-4-1-2-7-18(13)27(24,25)23-14-6-3-5-12(8-14)19-22-11-17(26-19)15-9-16(15)21/h1-8,11,15-16,23H,9,21H2/t15-,16-/m0/s1
InChIKeyRASNYBXXUYUYMQ-HOTGVXAUSA-N
XLogP3.30
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[5-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-2-yl]phenyl]-2-cyanobenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-2-yl]phenyl]-2-cyanobenzenesulfonamide?
The IUPAC name of N-[3-[5-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-2-yl]phenyl]-2-cyanobenzenesulfonamide (CID 56650942) is N-[3-[5-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-2-yl]phenyl]-2-cyanobenzenesulfonamide.
What is the SMILES notation for N-[3-[5-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-2-yl]phenyl]-2-cyanobenzenesulfonamide?
The canonical SMILES for N-[3-[5-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-2-yl]phenyl]-2-cyanobenzenesulfonamide is N#Cc1ccccc1S(=O)(=O)Nc1cccc(-c2ncc([C@H]3C[C@@H]3N)s2)c1.
What is the InChIKey of N-[3-[5-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-2-yl]phenyl]-2-cyanobenzenesulfonamide?
The InChIKey is RASNYBXXUYUYMQ-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c20-10-13-4-1-2-7-18(13)27(24,25)23-14-6-3-5-12(8-14)19-22-11-17(26-19)15-9-16(15)21/h1-8,11,15-16,23H,9,21H2/t15-,16-/m0/s1.
What are the key properties of N-[3-[5-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-2-yl]phenyl]-2-cyanobenzenesulfonamide?
N-[3-[5-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-2-yl]phenyl]-2-cyanobenzenesulfonamide has a molecular weight of 396.50 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-2-yl]phenyl]-2-cyanobenzenesulfonamide is sourced from PubChem (CID 56650942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).