(2R)-N-methyl-1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide

C16H19N3O3S — CID 32598903

IUPAC(2R)-N-methyl-1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
SMILESCNC(=O)[C@H]1CCCCN1C(=O)c1csc(-c2ccc(C)o2)n1
InChIInChI=1S/C16H19N3O3S/c1-10-6-7-13(22-10)15-18-11(9-23-15)16(21)19-8-4-3-5-12(19)14(20)17-2/h6-7,9,12H,3-5,8H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyAKSSHDWLOVDMKN-GFCCVEGCSA-N
MW333.41 g/mol
LogP2.45
Rot. Bonds3

About (2R)-N-methyl-1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide

(2R)-N-methyl-1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide (PubChem CID 32598903) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (2R)-N-methyl-1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
PubChem CID32598903
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(2R)-N-methyl-1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
SMILESCNC(=O)[C@H]1CCCCN1C(=O)c1csc(-c2ccc(C)o2)n1
InChIInChI=1S/C16H19N3O3S/c1-10-6-7-13(22-10)15-18-11(9-23-15)16(21)19-8-4-3-5-12(19)14(20)17-2/h6-7,9,12H,3-5,8H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyAKSSHDWLOVDMKN-GFCCVEGCSA-N
XLogP2.45
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide (CID 32598903) is (2R)-N-methyl-1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide is CNC(=O)[C@H]1CCCCN1C(=O)c1csc(-c2ccc(C)o2)n1.
What is the InChIKey of (2R)-N-methyl-1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide?
The InChIKey is AKSSHDWLOVDMKN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-10-6-7-13(22-10)15-18-11(9-23-15)16(21)19-8-4-3-5-12(19)14(20)17-2/h6-7,9,12H,3-5,8H2,1-2H3,(H,17,20)/t12-/m1/s1.
What are the key properties of (2R)-N-methyl-1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide?
(2R)-N-methyl-1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide is sourced from PubChem (CID 32598903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).