4-hydroxy-4-methyl-N-[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide

C19H25N3O2S — CID 164636323

IUPAC4-hydroxy-4-methyl-N-[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide
SMILESCc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C19H25N3O2S/c1-13-16(25-17(20-13)15-7-5-4-6-8-15)14(2)21-18(23)22-11-9-19(3,24)10-12-22/h4-8,14,24H,9-12H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyJWNNFRUSJLMTFG-AWEZNQCLSA-N
MW359.50 g/mol
LogP3.74
Rot. Bonds3

About 4-hydroxy-4-methyl-N-[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide

4-hydroxy-4-methyl-N-[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide (PubChem CID 164636323) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 4-hydroxy-4-methyl-N-[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-4-methyl-N-[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide
PubChem CID164636323
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name4-hydroxy-4-methyl-N-[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide
SMILESCc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C19H25N3O2S/c1-13-16(25-17(20-13)15-7-5-4-6-8-15)14(2)21-18(23)22-11-9-19(3,24)10-12-22/h4-8,14,24H,9-12H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyJWNNFRUSJLMTFG-AWEZNQCLSA-N
XLogP3.74
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 92131180
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 118514488
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 118524279
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 118524281
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 118524282
N-[2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 118524284
5-({[(Cyclohexylamino)carbonyl]oxy}ethanimidoyl)-4-methyl-2-phenyl-1,3-thiazole
CID 9581915
5-({[(Isopropylamino)carbonyl]oxy}ethanimidoyl)-4-methyl-2-phenyl-1,3-thiazole
CID 9581920
5-({[(Ethylamino)carbonyl]oxy}ethanimidoyl)-4-methyl-2-phenyl-1,3-thiazole
CID 9581921
1,1-Diethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
CID 84239280
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
CID 84239281
1-[2-(2-Phenyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
CID 84516254

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-methyl-N-[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-4-methyl-N-[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide (CID 164636323) is 4-hydroxy-4-methyl-N-[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-4-methyl-N-[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-4-methyl-N-[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide is Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CCC(C)(O)CC1.
What is the InChIKey of 4-hydroxy-4-methyl-N-[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is JWNNFRUSJLMTFG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-13-16(25-17(20-13)15-7-5-4-6-8-15)14(2)21-18(23)22-11-9-19(3,24)10-12-22/h4-8,14,24H,9-12H2,1-3H3,(H,21,23)/t14-/m0/s1.
What are the key properties of 4-hydroxy-4-methyl-N-[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide?
4-hydroxy-4-methyl-N-[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-methyl-N-[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 164636323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).