(2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

C20H24N4O4S — CID 51962685

IUPAC(2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N3CCC(C(=O)N4CCC[C@H]4C(N)=O)CC3)cs2)o1
InChIInChI=1S/C20H24N4O4S/c1-12-4-5-16(28-12)18-22-14(11-29-18)20(27)23-9-6-13(7-10-23)19(26)24-8-2-3-15(24)17(21)25/h4-5,11,13,15H,2-3,6-10H2,1H3,(H2,21,25)/t15-/m0/s1
InChIKeyCRUKEDDTJQRTIB-HNNXBMFYSA-N
MW416.50 g/mol
LogP2.04
Rot. Bonds4

About (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

(2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 51962685) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide
PubChem CID51962685
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name(2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N3CCC(C(=O)N4CCC[C@H]4C(N)=O)CC3)cs2)o1
InChIInChI=1S/C20H24N4O4S/c1-12-4-5-16(28-12)18-22-14(11-29-18)20(27)23-9-6-13(7-10-23)19(26)24-8-2-3-15(24)17(21)25/h4-5,11,13,15H,2-3,6-10H2,1H3,(H2,21,25)/t15-/m0/s1
InChIKeyCRUKEDDTJQRTIB-HNNXBMFYSA-N
XLogP2.04
TPSA109.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide (CID 51962685) is (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide is Cc1ccc(-c2nc(C(=O)N3CCC(C(=O)N4CCC[C@H]4C(N)=O)CC3)cs2)o1.
What is the InChIKey of (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is CRUKEDDTJQRTIB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-12-4-5-16(28-12)18-22-14(11-29-18)20(27)23-9-6-13(7-10-23)19(26)24-8-2-3-15(24)17(21)25/h4-5,11,13,15H,2-3,6-10H2,1H3,(H2,21,25)/t15-/m0/s1.
What are the key properties of (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide?
(2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 51962685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).