N-[4-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide

C22H23N3O3S — CID 86946923

IUPACN-[4-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESCCc1csc(C2CCCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)C2)n1
InChIInChI=1S/C22H23N3O3S/c1-2-17-14-29-21(24-17)16-5-3-11-25(13-16)22(27)15-7-9-18(10-8-15)23-20(26)19-6-4-12-28-19/h4,6-10,12,14,16H,2-3,5,11,13H2,1H3,(H,23,26)
InChIKeyWDIXDBPQLCRPPT-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.57
Rot. Bonds5

About N-[4-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide

N-[4-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 86946923) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[4-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
PubChem CID86946923
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[4-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESCCc1csc(C2CCCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)C2)n1
InChIInChI=1S/C22H23N3O3S/c1-2-17-14-29-21(24-17)16-5-3-11-25(13-16)22(27)15-7-9-18(10-8-15)23-20(26)19-6-4-12-28-19/h4,6-10,12,14,16H,2-3,5,11,13H2,1H3,(H,23,26)
InChIKeyWDIXDBPQLCRPPT-UHFFFAOYSA-N
XLogP4.57
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71841781
N-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 86935480
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 95768025
1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95767935
N-[4-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 9035306
5-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 95767983
N-[4-[3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 86936617
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 95768051
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
(2-aminophenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119946973
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 95768006

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide (CID 86946923) is N-[4-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide is CCc1csc(C2CCCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)C2)n1.
What is the InChIKey of N-[4-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The InChIKey is WDIXDBPQLCRPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-2-17-14-29-21(24-17)16-5-3-11-25(13-16)22(27)15-7-9-18(10-8-15)23-20(26)19-6-4-12-28-19/h4,6-10,12,14,16H,2-3,5,11,13H2,1H3,(H,23,26).
What are the key properties of N-[4-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
N-[4-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 409.51 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-[4-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 86946923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).