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

C18H24N4OS — CID 175454276

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(Cc2cnc(N)s2)CC1)c1ccccc1
InChIInChI=1S/C18H24N4OS/c1-13(14-5-3-2-4-6-14)21-17(23)15-7-9-22(10-8-15)12-16-11-20-18(19)24-16/h2-6,11,13,15H,7-10,12H2,1H3,(H2,19,20)(H,21,23)
InChIKeyWDSAEXDVTHTFQM-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.81
Rot. Bonds5

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

1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide (PubChem CID 175454276) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
PubChem CID175454276
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(Cc2cnc(N)s2)CC1)c1ccccc1
InChIInChI=1S/C18H24N4OS/c1-13(14-5-3-2-4-6-14)21-17(23)15-7-9-22(10-8-15)12-16-11-20-18(19)24-16/h2-6,11,13,15H,7-10,12H2,1H3,(H2,19,20)(H,21,23)
InChIKeyWDSAEXDVTHTFQM-UHFFFAOYSA-N
XLogP2.81
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 120903076
1-[(2-ethoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 7334962
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 1343521
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 120905673
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 120898400
(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 174863774
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 7316831
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide (CID 175454276) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(Cc2cnc(N)s2)CC1)c1ccccc1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide?
The InChIKey is WDSAEXDVTHTFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13(14-5-3-2-4-6-14)21-17(23)15-7-9-22(10-8-15)12-16-11-20-18(19)24-16/h2-6,11,13,15H,7-10,12H2,1H3,(H2,19,20)(H,21,23).
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide?
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 175454276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).