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

C16H19N3O2S — CID 126767380

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)N1CCCC(O)C1
InChIInChI=1S/C16H19N3O2S/c20-13-7-4-8-19(11-13)16(21)18-15-17-10-14(22-15)9-12-5-2-1-3-6-12/h1-3,5-6,10,13,20H,4,7-9,11H2,(H,17,18,21)
InChIKeyDPMBTZKNSDMMPU-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.72
Rot. Bonds3

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

N-(5-benzyl-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxamide (PubChem CID 126767380) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxamide
PubChem CID126767380
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)N1CCCC(O)C1
InChIInChI=1S/C16H19N3O2S/c20-13-7-4-8-19(11-13)16(21)18-15-17-10-14(22-15)9-12-5-2-1-3-6-12/h1-3,5-6,10,13,20H,4,7-9,11H2,(H,17,18,21)
InChIKeyDPMBTZKNSDMMPU-UHFFFAOYSA-N
XLogP2.72
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 126770563
N-(5-benzyl-1,3-thiazol-2-yl)-4-cyclopentyl-1,4-diazepane-1-carboxamide
CID 126766658
1-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122074687
1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18130138
1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122093544
(3S,4S)-1-[(5-benzyl-1,3-thiazol-2-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122074524
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide
CID 126784524
(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-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-hydroxypiperidine-1-carboxamide
CID 111109533
1-[(5-propyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122088976
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 119032325

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxamide (CID 126767380) is N-(5-benzyl-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxamide is O=C(Nc1ncc(Cc2ccccc2)s1)N1CCCC(O)C1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxamide?
The InChIKey is DPMBTZKNSDMMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-13-7-4-8-19(11-13)16(21)18-15-17-10-14(22-15)9-12-5-2-1-3-6-12/h1-3,5-6,10,13,20H,4,7-9,11H2,(H,17,18,21).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxamide?
N-(5-benzyl-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 126767380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).