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

C18H23N3O2S — CID 122150532

IUPAC4-hydroxy-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESCc1cccc(Cc2sc(NC(=O)N3CCC(O)CC3)nc2C)c1
InChIInChI=1S/C18H23N3O2S/c1-12-4-3-5-14(10-12)11-16-13(2)19-17(24-16)20-18(23)21-8-6-15(22)7-9-21/h3-5,10,15,22H,6-9,11H2,1-2H3,(H,19,20,23)
InChIKeyLCBNDASXWHUWDU-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.34
Rot. Bonds3

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

4-hydroxy-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide (PubChem CID 122150532) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-hydroxy-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
PubChem CID122150532
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name4-hydroxy-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESCc1cccc(Cc2sc(NC(=O)N3CCC(O)CC3)nc2C)c1
InChIInChI=1S/C18H23N3O2S/c1-12-4-3-5-14(10-12)11-16-13(2)19-17(24-16)20-18(23)21-8-6-15(22)7-9-21/h3-5,10,15,22H,6-9,11H2,1-2H3,(H,19,20,23)
InChIKeyLCBNDASXWHUWDU-UHFFFAOYSA-N
XLogP3.34
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120788775
1-[[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122094985
1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122092678
N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 43836758
1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55895685
5,7-dimethyl-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166189227
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55896068
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 43836394
(3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide
CID 145485919
6-bromo-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166195009
N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methylbenzamide
CID 43837141

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide (CID 122150532) is 4-hydroxy-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide is Cc1cccc(Cc2sc(NC(=O)N3CCC(O)CC3)nc2C)c1.
What is the InChIKey of 4-hydroxy-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is LCBNDASXWHUWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-4-3-5-14(10-12)11-16-13(2)19-17(24-16)20-18(23)21-8-6-15(22)7-9-21/h3-5,10,15,22H,6-9,11H2,1-2H3,(H,19,20,23).
What are the key properties of 4-hydroxy-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide?
4-hydroxy-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 122150532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).