2-methyl-N-[1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidin-3-yl]propanamide

C19H25N3O3S — CID 51132636

IUPAC2-methyl-N-[1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidin-3-yl]propanamide
SMILESCc1ccc(-c2nc(CC(=O)N3CCCC(NC(=O)C(C)C)C3)cs2)o1
InChIInChI=1S/C19H25N3O3S/c1-12(2)18(24)20-14-5-4-8-22(10-14)17(23)9-15-11-26-19(21-15)16-7-6-13(3)25-16/h6-7,11-12,14H,4-5,8-10H2,1-3H3,(H,20,24)
InChIKeyQBIBBPHJFVMUFT-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.02
Rot. Bonds5

About 2-methyl-N-[1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidin-3-yl]propanamide

2-methyl-N-[1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidin-3-yl]propanamide (PubChem CID 51132636) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidin-3-yl]propanamide
PubChem CID51132636
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-methyl-N-[1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidin-3-yl]propanamide
SMILESCc1ccc(-c2nc(CC(=O)N3CCCC(NC(=O)C(C)C)C3)cs2)o1
InChIInChI=1S/C19H25N3O3S/c1-12(2)18(24)20-14-5-4-8-22(10-14)17(23)9-15-11-26-19(21-15)16-7-6-13(3)25-16/h6-7,11-12,14H,4-5,8-10H2,1-3H3,(H,20,24)
InChIKeyQBIBBPHJFVMUFT-UHFFFAOYSA-N
XLogP3.02
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1-aminoethyl)piperidin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119595120
1-(4-tert-butyl-3-hydroxypiperidin-1-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone
CID 75447508
1-(4-aminopiperidin-1-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119375215
1-[4-(methylaminomethyl)piperidin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119545183
1-(4-methoxypiperidin-1-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone
CID 56811934
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone
CID 119650689
1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119355602
1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 119488489
2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 119489393
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 52515411
(2R,3R)-2-methyl-1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 122116283
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46450701

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidin-3-yl]propanamide (CID 51132636) is 2-methyl-N-[1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidin-3-yl]propanamide is Cc1ccc(-c2nc(CC(=O)N3CCCC(NC(=O)C(C)C)C3)cs2)o1.
What is the InChIKey of 2-methyl-N-[1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidin-3-yl]propanamide?
The InChIKey is QBIBBPHJFVMUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-12(2)18(24)20-14-5-4-8-22(10-14)17(23)9-15-11-26-19(21-15)16-7-6-13(3)25-16/h6-7,11-12,14H,4-5,8-10H2,1-3H3,(H,20,24).
What are the key properties of 2-methyl-N-[1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidin-3-yl]propanamide?
2-methyl-N-[1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidin-3-yl]propanamide has a molecular weight of 375.49 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 51132636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).