N-[5-amino-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-sulfonamide

C15H18N4O3S2 — CID 158101375

IUPACN-[5-amino-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-sulfonamide
SMILESNc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cscn2)c1
InChIInChI=1S/C15H18N4O3S2/c16-11-4-5-12(15(20)19-6-2-1-3-7-19)13(8-11)18-24(21,22)14-9-23-10-17-14/h4-5,8-10,18H,1-3,6-7,16H2
InChIKeyFPHKSOBTQFUFLN-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.15
Rot. Bonds4

About N-[5-amino-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-sulfonamide

N-[5-amino-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-sulfonamide (PubChem CID 158101375) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[5-amino-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[5-amino-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-sulfonamide
PubChem CID158101375
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC NameN-[5-amino-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-sulfonamide
SMILESNc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cscn2)c1
InChIInChI=1S/C15H18N4O3S2/c16-11-4-5-12(15(20)19-6-2-1-3-7-19)13(8-11)18-24(21,22)14-9-23-10-17-14/h4-5,8-10,18H,1-3,6-7,16H2
InChIKeyFPHKSOBTQFUFLN-UHFFFAOYSA-N
XLogP2.15
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone
CID 61091444
(4-amino-2-methylphenyl)-(azetidin-1-yl)methanone
CID 130546505
4-amino-2-(1,3-thiazole-4-carbonylamino)benzoic acid
CID 63116149
[5-amino-2-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100637847
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
N-[2-(azepane-1-carbonyl)-5-bromophenyl]quinoxaline-5-sulfonamide
CID 11752167
N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 25033229
N-[2-(azepane-1-carbonyl)-5-iodophenyl]quinoxaline-5-sulfonamide
CID 11444027
N-[5-iodo-2-(piperidine-1-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 11353036
[5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone
CID 61091481
[5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone
CID 102538189
[5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100638822

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-sulfonamide?
The IUPAC name of N-[5-amino-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-sulfonamide (CID 158101375) is N-[5-amino-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-sulfonamide.
What is the SMILES notation for N-[5-amino-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-sulfonamide?
The canonical SMILES for N-[5-amino-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-sulfonamide is Nc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cscn2)c1.
What is the InChIKey of N-[5-amino-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-sulfonamide?
The InChIKey is FPHKSOBTQFUFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c16-11-4-5-12(15(20)19-6-2-1-3-7-19)13(8-11)18-24(21,22)14-9-23-10-17-14/h4-5,8-10,18H,1-3,6-7,16H2.
What are the key properties of N-[5-amino-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-sulfonamide?
N-[5-amino-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-sulfonamide has a molecular weight of 366.47 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-sulfonamide is sourced from PubChem (CID 158101375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).