(E)-3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide

C16H18N4O4S2 — CID 11545665

IUPAC(E)-3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)s1)NO
InChIInChI=1S/C16H18N4O4S2/c21-15(18-22)7-6-13-12-17-16(25-13)19-8-10-20(11-9-19)26(23,24)14-4-2-1-3-5-14/h1-7,12,22H,8-11H2,(H,18,21)/b7-6+
InChIKeyVEJVMHWJIHWXRG-VOTSOKGWSA-N
MW394.48 g/mol
LogP1.17
Rot. Bonds5

About (E)-3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide

(E)-3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 11545665) has the molecular formula C16H18N4O4S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is (E)-3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide
PubChem CID11545665
Molecular FormulaC16H18N4O4S2
Molecular Weight394.48 g/mol
Exact Mass394.08
IUPAC Name(E)-3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)s1)NO
InChIInChI=1S/C16H18N4O4S2/c21-15(18-22)7-6-13-12-17-16(25-13)19-8-10-20(11-9-19)26(23,24)14-4-2-1-3-5-14/h1-7,12,22H,8-11H2,(H,18,21)/b7-6+
InChIKeyVEJVMHWJIHWXRG-VOTSOKGWSA-N
XLogP1.17
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide (CID 11545665) is (E)-3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1cnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)s1)NO.
What is the InChIKey of (E)-3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is VEJVMHWJIHWXRG-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H18N4O4S2/c21-15(18-22)7-6-13-12-17-16(25-13)19-8-10-20(11-9-19)26(23,24)14-4-2-1-3-5-14/h1-7,12,22H,8-11H2,(H,18,21)/b7-6+.
What are the key properties of (E)-3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 394.48 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 11545665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).