(E)-N-hydroxy-3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide

C16H17N5O6S2 — CID 11597343

IUPAC(E)-N-hydroxy-3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1cnc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)s1)NO
InChIInChI=1S/C16H17N5O6S2/c22-15(18-23)6-3-13-11-17-16(28-13)19-7-9-20(10-8-19)29(26,27)14-4-1-12(2-5-14)21(24)25/h1-6,11,23H,7-10H2,(H,18,22)/b6-3+
InChIKeyDVMYLPRGYNBANT-ZZXKWVIFSA-N
MW439.48 g/mol
LogP1.08
Rot. Bonds6

About (E)-N-hydroxy-3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide (PubChem CID 11597343) has the molecular formula C16H17N5O6S2 and a molecular weight of 439.48 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide
PubChem CID11597343
Molecular FormulaC16H17N5O6S2
Molecular Weight439.48 g/mol
Exact Mass439.06
IUPAC Name(E)-N-hydroxy-3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1cnc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)s1)NO
InChIInChI=1S/C16H17N5O6S2/c22-15(18-23)6-3-13-11-17-16(28-13)19-7-9-20(10-8-19)29(26,27)14-4-1-12(2-5-14)21(24)25/h1-6,11,23H,7-10H2,(H,18,22)/b6-3+
InChIKeyDVMYLPRGYNBANT-ZZXKWVIFSA-N
XLogP1.08
TPSA145.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-hydroxy-3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide 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 (E)-N-hydroxy-3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide (CID 11597343) is (E)-N-hydroxy-3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide is O=C(/C=C/c1cnc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)s1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide?
The InChIKey is DVMYLPRGYNBANT-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H17N5O6S2/c22-15(18-23)6-3-13-11-17-16(28-13)19-7-9-20(10-8-19)29(26,27)14-4-1-12(2-5-14)21(24)25/h1-6,11,23H,7-10H2,(H,18,22)/b6-3+.
What are the key properties of (E)-N-hydroxy-3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide has a molecular weight of 439.48 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide is sourced from PubChem (CID 11597343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).