N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide

C16H18F2N4O3S2 — CID 167947840

IUPACN-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide
SMILESNS(=O)(=O)N1CCC(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)CC1
InChIInChI=1S/C16H18F2N4O3S2/c17-13-2-1-10(8-14(13)18)7-12-9-20-16(26-12)21-15(23)11-3-5-22(6-4-11)27(19,24)25/h1-2,8-9,11H,3-7H2,(H2,19,24,25)(H,20,21,23)
InChIKeyLJTRIWZOLCXMCR-UHFFFAOYSA-N
MW416.48 g/mol
LogP1.87
Rot. Bonds5

About N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide

N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide (PubChem CID 167947840) has the molecular formula C16H18F2N4O3S2 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide
PubChem CID167947840
Molecular FormulaC16H18F2N4O3S2
Molecular Weight416.48 g/mol
Exact Mass416.08
IUPAC NameN-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide
SMILESNS(=O)(=O)N1CCC(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)CC1
InChIInChI=1S/C16H18F2N4O3S2/c17-13-2-1-10(8-14(13)18)7-12-9-20-16(26-12)21-15(23)11-3-5-22(6-4-11)27(19,24)25/h1-2,8-9,11H,3-7H2,(H2,19,24,25)(H,20,21,23)
InChIKeyLJTRIWZOLCXMCR-UHFFFAOYSA-N
XLogP1.87
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55611297
3-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119702612
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 112830777
N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071829
(2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylazetidine-2-carboxamide
CID 167327033
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119286816
4-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122074630
1-(4-chlorobenzoyl)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 30685210
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 112822162
N-(5-methyl-1,3-thiazol-2-yl)-1-sulfamoylpiperidine-4-carboxamide
CID 47158637
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 46535688
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119278182

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide?
The IUPAC name of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide (CID 167947840) is N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide is NS(=O)(=O)N1CCC(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)CC1.
What is the InChIKey of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide?
The InChIKey is LJTRIWZOLCXMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O3S2/c17-13-2-1-10(8-14(13)18)7-12-9-20-16(26-12)21-15(23)11-3-5-22(6-4-11)27(19,24)25/h1-2,8-9,11H,3-7H2,(H2,19,24,25)(H,20,21,23).
What are the key properties of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide?
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide is sourced from PubChem (CID 167947840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).