N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxamide

C19H20N4O4S2 — CID 11647693

IUPACN-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)s1
InChIInChI=1S/C19H20N4O4S2/c24-18(21-25)17-12-20-19(28-17)23-9-7-15(8-10-23)22-29(26,27)16-6-5-13-3-1-2-4-14(13)11-16/h1-6,11-12,15,22,25H,7-10H2,(H,21,24)
InChIKeyXTVZHOVBRQIKLP-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.36
Rot. Bonds5

About N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxamide

N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 11647693) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID11647693
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC NameN-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)s1
InChIInChI=1S/C19H20N4O4S2/c24-18(21-25)17-12-20-19(28-17)23-9-7-15(8-10-23)22-29(26,27)16-6-5-13-3-1-2-4-14(13)11-16/h1-6,11-12,15,22,25H,7-10H2,(H,21,24)
InChIKeyXTVZHOVBRQIKLP-UHFFFAOYSA-N
XLogP2.36
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxamide (CID 11647693) is N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxamide is O=C(NO)c1cnc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)s1.
What is the InChIKey of N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is XTVZHOVBRQIKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c24-18(21-25)17-12-20-19(28-17)23-9-7-15(8-10-23)22-29(26,27)16-6-5-13-3-1-2-4-14(13)11-16/h1-6,11-12,15,22,25H,7-10H2,(H,21,24).
What are the key properties of N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11647693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).