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

C20H18ClN3O3S — CID 121318057

IUPACN-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2csc(-c3ccco3)n2)C1
InChIInChI=1S/C20H18ClN3O3S/c21-14-5-7-15(8-6-14)22-18(25)13-3-1-9-24(11-13)20(26)16-12-28-19(23-16)17-4-2-10-27-17/h2,4-8,10,12-13H,1,3,9,11H2,(H,22,25)
InChIKeyKPCHHLHOZXEQNM-UHFFFAOYSA-N
MW415.90 g/mol
LogP4.55
Rot. Bonds4

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

N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide (PubChem CID 121318057) 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-4-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
PubChem CID121318057
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC NameN-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2csc(-c3ccco3)n2)C1
InChIInChI=1S/C20H18ClN3O3S/c21-14-5-7-15(8-6-14)22-18(25)13-3-1-9-24(11-13)20(26)16-12-28-19(23-16)17-4-2-10-27-17/h2,4-8,10,12-13H,1,3,9,11H2,(H,22,25)
InChIKeyKPCHHLHOZXEQNM-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-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2567479
2-[4-(2-Furoyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5p)
CID 73443011
Furan-2-carboxylic acid {4-[(4-chloro-phenylcarbamoyl)-methyl]-thiazol-2-yl}-ethyl-amide
CID 648157
2-[acetyl(2-furanylmethyl)amino]-N-(4-chlorophenyl)-5-methyl-4-thiazolecarboxamide
CID 1079280
N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}furan-2-carboxamide
CID 7216577
N-(4-chlorophenyl)-1-(2-(furan-2-yl)thiazole-5-carbonyl)piperidine-3-carboxamide
CID 121317946
2-{4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-piperazin-1-yl}-N-furan-2-ylmethyl-acetamide
CID 644688
N-(4-chlorophenyl)-2-[furan-2-ylmethyl(propanoyl)amino]-5-methyl-1,3-thiazole-4-carboxamide
CID 1455394
(4-{[2-(2-Chlorophenyl)-1,3-thiazol-4-yl]methyl}piperazin-1-yl)(furan-2-yl)methanone
CID 6467836
6-Chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 32867112
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 40050911
[2-(furan-2-yl)-1,3-thiazol-4-yl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
CID 42889999

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide (CID 121318057) is N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2csc(-c3ccco3)n2)C1.
What is the InChIKey of N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide?
The InChIKey is KPCHHLHOZXEQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c21-14-5-7-15(8-6-14)22-18(25)13-3-1-9-24(11-13)20(26)16-12-28-19(23-16)17-4-2-10-27-17/h2,4-8,10,12-13H,1,3,9,11H2,(H,22,25).
What are the key properties of N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide?
N-(4-chlorophenyl)-1-[2-(furan-2-yl)-1,3-thiazole-4-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-4-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 121318057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).