3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide

C16H19N3O2S — CID 110901412

IUPAC3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)cs1)N1CCCC(O)C1
InChIInChI=1S/C16H19N3O2S/c20-13-7-4-8-19(10-13)16(21)17-9-15-18-14(11-22-15)12-5-2-1-3-6-12/h1-3,5-6,11,13,20H,4,7-10H2,(H,17,21)
InChIKeyXYZSIEBYYFFAFD-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.48
Rot. Bonds3

About 3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide

3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 110901412) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
PubChem CID110901412
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)cs1)N1CCCC(O)C1
InChIInChI=1S/C16H19N3O2S/c20-13-7-4-8-19(10-13)16(21)17-9-15-18-14(11-22-15)12-5-2-1-3-6-12/h1-3,5-6,11,13,20H,4,7-10H2,(H,17,21)
InChIKeyXYZSIEBYYFFAFD-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 119072353
(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 125138168
(3S)-1-(2-methylsulfanylacetyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 177213828
4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 60551187
2-[[(3-hydroxypyrrolidine-1-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379596
(5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126453114
(3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120311
2-methyl-1-[4-[(4-phenyl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 119121832
(3R)-N-ethyl-3-hydroxy-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide
CID 111549906
(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 126436597
2-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboxamide
CID 60551252
4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 60551018

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide (CID 110901412) is 3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide is O=C(NCc1nc(-c2ccccc2)cs1)N1CCCC(O)C1.
What is the InChIKey of 3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is XYZSIEBYYFFAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-13-7-4-8-19(10-13)16(21)17-9-15-18-14(11-22-15)12-5-2-1-3-6-12/h1-3,5-6,11,13,20H,4,7-10H2,(H,17,21).
What are the key properties of 3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide?
3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 110901412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).