N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide

C20H18ClN3O3S — CID 121317946

IUPACN-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cnc(-c3ccco3)s2)C1
InChIInChI=1S/C20H18ClN3O3S/c21-14-5-7-15(8-6-14)23-18(25)13-3-1-9-24(12-13)20(26)17-11-22-19(28-17)16-4-2-10-27-16/h2,4-8,10-11,13H,1,3,9,12H2,(H,23,25)
InChIKeyDYKPDKXNTYMFNQ-UHFFFAOYSA-N
MW415.90 g/mol
LogP4.55
Rot. Bonds4

About N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide

N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide (PubChem CID 121317946) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide
PubChem CID121317946
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC NameN-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cnc(-c3ccco3)s2)C1
InChIInChI=1S/C20H18ClN3O3S/c21-14-5-7-15(8-6-14)23-18(25)13-3-1-9-24(12-13)20(26)17-11-22-19(28-17)16-4-2-10-27-16/h2,4-8,10-11,13H,1,3,9,12H2,(H,23,25)
InChIKeyDYKPDKXNTYMFNQ-UHFFFAOYSA-N
XLogP4.55
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 121318057
2-[(2-chlorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 4208203
N-(2-furylmethyl)-2-isopropyl-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 50984662
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{N-[(furan-2-yl)methyl]-1-[2-(methylsulfanyl)pyridin-3-yl]formamido}acetamide
CID 16546919
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 24665820
2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 25564664
N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
CID 53606630
2-(2-fluorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 56085003
2-(2-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 56086487
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-(furan-2-ylmethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 56255745
1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 56271921
N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
CID 86888852

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide (CID 121317946) is N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cnc(-c3ccco3)s2)C1.
What is the InChIKey of N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide?
The InChIKey is DYKPDKXNTYMFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c21-14-5-7-15(8-6-14)23-18(25)13-3-1-9-24(12-13)20(26)17-11-22-19(28-17)16-4-2-10-27-16/h2,4-8,10-11,13H,1,3,9,12H2,(H,23,25).
What are the key properties of N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide?
N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide has a molecular weight of 415.90 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 121317946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).