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

C16H20N4O2S — CID 120903076

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
SMILESNc1ncc(CN2CCC(C(=O)Nc3ccc(O)cc3)CC2)s1
InChIInChI=1S/C16H20N4O2S/c17-16-18-9-14(23-16)10-20-7-5-11(6-8-20)15(22)19-12-1-3-13(21)4-2-12/h1-4,9,11,21H,5-8,10H2,(H2,17,18)(H,19,22)
InChIKeyPEPPHCSSEZCKJX-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.28
Rot. Bonds4

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

1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide (PubChem CID 120903076) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
PubChem CID120903076
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
SMILESNc1ncc(CN2CCC(C(=O)Nc3ccc(O)cc3)CC2)s1
InChIInChI=1S/C16H20N4O2S/c17-16-18-9-14(23-16)10-20-7-5-11(6-8-20)15(22)19-12-1-3-13(21)4-2-12/h1-4,9,11,21H,5-8,10H2,(H2,17,18)(H,19,22)
InChIKeyPEPPHCSSEZCKJX-UHFFFAOYSA-N
XLogP2.28
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 120898685
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 175454276
[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-chlorophenyl)methanone
CID 120899134
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 120897637
N-(4-hydroxyphenyl)-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 167932124
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267
5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898110
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 50814431
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 120905673
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
5-[(4-cyclopentyloxypiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120899557
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide (CID 120903076) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide is Nc1ncc(CN2CCC(C(=O)Nc3ccc(O)cc3)CC2)s1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
The InChIKey is PEPPHCSSEZCKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c17-16-18-9-14(23-16)10-20-7-5-11(6-8-20)15(22)19-12-1-3-13(21)4-2-12/h1-4,9,11,21H,5-8,10H2,(H2,17,18)(H,19,22).
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 120903076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).