N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C21H20FN3O2S2 — CID 78892359

IUPACN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2F)s1)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C21H20FN3O2S2/c22-16-7-2-1-6-14(16)12-15-13-23-21(29-15)24-19(26)17-8-3-4-10-25(17)20(27)18-9-5-11-28-18/h1-2,5-7,9,11,13,17H,3-4,8,10,12H2,(H,23,24,26)
InChIKeyYOLVMWRRPQOABZ-UHFFFAOYSA-N
MW429.54 g/mol
LogP4.57
Rot. Bonds5

About N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 78892359) has the molecular formula C21H20FN3O2S2 and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID78892359
Molecular FormulaC21H20FN3O2S2
Molecular Weight429.54 g/mol
Exact Mass429.10
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2F)s1)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C21H20FN3O2S2/c22-16-7-2-1-6-14(16)12-15-13-23-21(29-15)24-19(26)17-8-3-4-10-25(17)20(27)18-9-5-11-28-18/h1-2,5-7,9,11,13,17H,3-4,8,10,12H2,(H,23,24,26)
InChIKeyYOLVMWRRPQOABZ-UHFFFAOYSA-N
XLogP4.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 30685153
N-[(2-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17406464
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119286796
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46674403
N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 24628811
1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122093544
(3R)-1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 129468818
N-(5-bromo-2-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844765
N-[2-(2,6-difluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78892566
(2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 32953422
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78843116

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 78892359) is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is O=C(Nc1ncc(Cc2ccccc2F)s1)C1CCCCN1C(=O)c1cccs1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is YOLVMWRRPQOABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S2/c22-16-7-2-1-6-14(16)12-15-13-23-21(29-15)24-19(26)17-8-3-4-10-25(17)20(27)18-9-5-11-28-18/h1-2,5-7,9,11,13,17H,3-4,8,10,12H2,(H,23,24,26).
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 78892359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).