N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide

C17H21N3OS — CID 126770563

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ncc(Cc3ccccc3)s2)C1
InChIInChI=1S/C17H21N3OS/c1-13-6-5-9-20(12-13)17(21)19-16-18-11-15(22-16)10-14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3,(H,18,19,21)
InChIKeyQRNKGTVZBAGWNY-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.00
Rot. Bonds3

About N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide

N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide (PubChem CID 126770563) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
PubChem CID126770563
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ncc(Cc3ccccc3)s2)C1
InChIInChI=1S/C17H21N3OS/c1-13-6-5-9-20(12-13)17(21)19-16-18-11-15(22-16)10-14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3,(H,18,19,21)
InChIKeyQRNKGTVZBAGWNY-UHFFFAOYSA-N
XLogP4.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxamide
CID 126767380
N-(5-benzyl-1,3-thiazol-2-yl)-4-cyclopentyl-1,4-diazepane-1-carboxamide
CID 126766658
1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18130138
1-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122074687
(3S,4S)-1-[(5-benzyl-1,3-thiazol-2-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122074524
1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122093544
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide
CID 126784524
1-[(5-propyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122088976
(3R)-1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 129468818
1-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074653
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 119032325
N-(5-benzyl-1,3-thiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 99142497

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide (CID 126770563) is N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)Nc2ncc(Cc3ccccc3)s2)C1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide?
The InChIKey is QRNKGTVZBAGWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13-6-5-9-20(12-13)17(21)19-16-18-11-15(22-16)10-14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3,(H,18,19,21).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide?
N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 126770563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).