N-hydroxy-2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide

C18H23N5O4S2 — CID 11178108

IUPACN-hydroxy-2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(N4CCCC4)cc3)CC2)s1
InChIInChI=1S/C18H23N5O4S2/c24-17(20-25)16-13-19-18(28-16)22-9-11-23(12-10-22)29(26,27)15-5-3-14(4-6-15)21-7-1-2-8-21/h3-6,13,25H,1-2,7-12H2,(H,20,24)
InChIKeyWYLZQYKUXCBEII-UHFFFAOYSA-N
MW437.55 g/mol
LogP1.37
Rot. Bonds5

About N-hydroxy-2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide

N-hydroxy-2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 11178108) has the molecular formula C18H23N5O4S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is N-hydroxy-2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID11178108
Molecular FormulaC18H23N5O4S2
Molecular Weight437.55 g/mol
Exact Mass437.12
IUPAC NameN-hydroxy-2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(N4CCCC4)cc3)CC2)s1
InChIInChI=1S/C18H23N5O4S2/c24-17(20-25)16-13-19-18(28-16)22-9-11-23(12-10-22)29(26,27)15-5-3-14(4-6-15)21-7-1-2-8-21/h3-6,13,25H,1-2,7-12H2,(H,20,24)
InChIKeyWYLZQYKUXCBEII-UHFFFAOYSA-N
XLogP1.37
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Related Compounds

N-hydroxy-2-[4-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide;hydrochloride
CID 157389142
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide;2-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide
CID 159120760
hydroxylamine;2-[4-(4-thiophen-2-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 172709215
2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
CID 11631108
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3-thiazole
CID 133351883
N-hydroxy-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 59679254
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone
CID 62757449
N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 11647693
2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 168512153
2-[4-[3-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 68946323
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
N-[(4-pyrrolidin-1-ylphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 35620277

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide (CID 11178108) is N-hydroxy-2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide is O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(N4CCCC4)cc3)CC2)s1.
What is the InChIKey of N-hydroxy-2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is WYLZQYKUXCBEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4S2/c24-17(20-25)16-13-19-18(28-16)22-9-11-23(12-10-22)29(26,27)15-5-3-14(4-6-15)21-7-1-2-8-21/h3-6,13,25H,1-2,7-12H2,(H,20,24).
What are the key properties of N-hydroxy-2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide?
N-hydroxy-2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 437.55 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11178108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).