[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone

C16H16N4O2S — CID 95158057

IUPAC[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1cnc(-c2ccco2)s1)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C16H16N4O2S/c21-16(14-10-17-15(23-14)13-5-2-9-22-13)19-7-1-4-12(11-19)20-8-3-6-18-20/h2-3,5-6,8-10,12H,1,4,7,11H2/t12-/m1/s1
InChIKeyNTKDWWXOAXHIMY-GFCCVEGCSA-N
MW328.40 g/mol
LogP3.08
Rot. Bonds3

About [2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone

[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone (PubChem CID 95158057) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
PubChem CID95158057
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1cnc(-c2ccco2)s1)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C16H16N4O2S/c21-16(14-10-17-15(23-14)13-5-2-9-22-13)19-7-1-4-12(11-19)20-8-3-6-18-20/h2-3,5-6,8-10,12H,1,4,7,11H2/t12-/m1/s1
InChIKeyNTKDWWXOAXHIMY-GFCCVEGCSA-N
XLogP3.08
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95341522
(2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 129369690
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95314942
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95280828
[3-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119594711
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethanone
CID 95158691
N-(2-aminoethyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide;dihydrochloride
CID 119480750
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone
CID 120656276
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71878575
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(7S)-7-methyl-1,1-dioxo-1,4-thiazepan-4-yl]methanone
CID 124624103
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650303
(5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95281714

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone (CID 95158057) is [2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone is O=C(c1cnc(-c2ccco2)s1)N1CCC[C@@H](n2cccn2)C1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The InChIKey is NTKDWWXOAXHIMY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-16(14-10-17-15(23-14)13-5-2-9-22-13)19-7-1-4-12(11-19)20-8-3-6-18-20/h2-3,5-6,8-10,12H,1,4,7,11H2/t12-/m1/s1.
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone has a molecular weight of 328.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95158057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).