N-[2-[2-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide

C18H23N3O3S — CID 71841781

IUPACN-[2-[2-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1csc(C2CCCN(C(=O)c3ccco3)C2)n1
InChIInChI=1S/C18H23N3O3S/c1-2-16(22)19-8-7-14-12-25-17(20-14)13-5-3-9-21(11-13)18(23)15-6-4-10-24-15/h4,6,10,12-13H,2-3,5,7-9,11H2,1H3,(H,19,22)
InChIKeyNSCCCWPVHDKICG-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.82
Rot. Bonds6

About N-[2-[2-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide

N-[2-[2-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (PubChem CID 71841781) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[2-[2-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
PubChem CID71841781
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[2-[2-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1csc(C2CCCN(C(=O)c3ccco3)C2)n1
InChIInChI=1S/C18H23N3O3S/c1-2-16(22)19-8-7-14-12-25-17(20-14)13-5-3-9-21(11-13)18(23)15-6-4-10-24-15/h4,6,10,12-13H,2-3,5,7-9,11H2,1H3,(H,19,22)
InChIKeyNSCCCWPVHDKICG-UHFFFAOYSA-N
XLogP2.82
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71841776
N-[2-[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71841804
N-[2-[2-[1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71819838
N-[4-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 86946923
N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 71841693
N-[2-[2-[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 95097266
2-methyl-N-[2-[2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 95097328
N-cyclopentyl-4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 71841862
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 95777767
N-[[2-[(3R)-1-(2,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
CID 95097122
2-methyl-N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71841752
N-[2-[2-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71841940

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The IUPAC name of N-[2-[2-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (CID 71841781) is N-[2-[2-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[2-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[2-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is CCC(=O)NCCc1csc(C2CCCN(C(=O)c3ccco3)C2)n1.
What is the InChIKey of N-[2-[2-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The InChIKey is NSCCCWPVHDKICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-2-16(22)19-8-7-14-12-25-17(20-14)13-5-3-9-21(11-13)18(23)15-6-4-10-24-15/h4,6,10,12-13H,2-3,5,7-9,11H2,1H3,(H,19,22).
What are the key properties of N-[2-[2-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
N-[2-[2-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide has a molecular weight of 361.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is sourced from PubChem (CID 71841781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).