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

C16H16N4O2S — CID 95341522

IUPAC[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1cnc(-c2ccco2)s1)N1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C16H16N4O2S/c21-16(14-9-18-15(23-14)13-4-2-8-22-13)19-6-1-3-12(10-19)20-7-5-17-11-20/h2,4-5,7-9,11-12H,1,3,6,10H2/t12-/m1/s1
InChIKeyZHENQFXNXKTBEH-GFCCVEGCSA-N
MW328.40 g/mol
LogP3.08
Rot. Bonds3

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

[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone (PubChem CID 95341522) 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-imidazol-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
PubChem CID95341522
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1cnc(-c2ccco2)s1)N1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C16H16N4O2S/c21-16(14-9-18-15(23-14)13-4-2-8-22-13)19-6-1-3-12(10-19)20-7-5-17-11-20/h2,4-5,7-9,11-12H,1,3,6,10H2/t12-/m1/s1
InChIKeyZHENQFXNXKTBEH-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-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158057
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95314942
[3-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119594711
5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide
CID 95319281
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]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650303
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95314051
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119623467
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 95314062
[(2R)-2,3-dihydro-1-benzothiophen-2-yl]-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95569108
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 95323916

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone (CID 95341522) is [2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone is O=C(c1cnc(-c2ccco2)s1)N1CCC[C@@H](n2ccnc2)C1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone?
The InChIKey is ZHENQFXNXKTBEH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-16(14-9-18-15(23-14)13-4-2-8-22-13)19-6-1-3-12(10-19)20-7-5-17-11-20/h2,4-5,7-9,11-12H,1,3,6,10H2/t12-/m1/s1.
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone?
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-imidazol-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-imidazol-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95341522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).