1-(3-methyl-1-benzofuran-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C19H19N3O3S — CID 47067010

IUPAC1-(3-methyl-1-benzofuran-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1c(C(=O)N2CCCC(C(=O)Nc3nccs3)C2)oc2ccccc12
InChIInChI=1S/C19H19N3O3S/c1-12-14-6-2-3-7-15(14)25-16(12)18(24)22-9-4-5-13(11-22)17(23)21-19-20-8-10-26-19/h2-3,6-8,10,13H,4-5,9,11H2,1H3,(H,20,21,23)
InChIKeyMASHBXLBLNLKOG-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.69
Rot. Bonds3

About 1-(3-methyl-1-benzofuran-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-(3-methyl-1-benzofuran-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 47067010) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-(3-methyl-1-benzofuran-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methyl-1-benzofuran-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID47067010
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name1-(3-methyl-1-benzofuran-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1c(C(=O)N2CCCC(C(=O)Nc3nccs3)C2)oc2ccccc12
InChIInChI=1S/C19H19N3O3S/c1-12-14-6-2-3-7-15(14)25-16(12)18(24)22-9-4-5-13(11-22)17(23)21-19-20-8-10-26-19/h2-3,6-8,10,13H,4-5,9,11H2,1H3,(H,20,21,23)
InChIKeyMASHBXLBLNLKOG-UHFFFAOYSA-N
XLogP3.69
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55811024
(3R)-1-(2-methoxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94132003
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 888224
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51125247
(3S)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 94656232
[3-(methylaminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119398830
1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47067016
1-[4-(methylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55812809
1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55960033
1-(3-methyl-1-benzofuran-2-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931370
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-benzofuran-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-methyl-1-benzofuran-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 47067010) is 1-(3-methyl-1-benzofuran-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-methyl-1-benzofuran-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-methyl-1-benzofuran-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is Cc1c(C(=O)N2CCCC(C(=O)Nc3nccs3)C2)oc2ccccc12.
What is the InChIKey of 1-(3-methyl-1-benzofuran-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is MASHBXLBLNLKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-12-14-6-2-3-7-15(14)25-16(12)18(24)22-9-4-5-13(11-22)17(23)21-19-20-8-10-26-19/h2-3,6-8,10,13H,4-5,9,11H2,1H3,(H,20,21,23).
What are the key properties of 1-(3-methyl-1-benzofuran-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-(3-methyl-1-benzofuran-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-benzofuran-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 47067010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).