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

C16H21ClN4O2S — CID 120897788

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.Nc1ncc(CN2CCC(C(=O)Nc3ccccc3O)CC2)s1
InChIInChI=1S/C16H20N4O2S.ClH/c17-16-18-9-12(23-16)10-20-7-5-11(6-8-20)15(22)19-13-3-1-2-4-14(13)21;/h1-4,9,11,21H,5-8,10H2,(H2,17,18)(H,19,22);1H
InChIKeyNCYDLVMHQNAZRE-UHFFFAOYSA-N
MW368.89 g/mol
LogP2.70
Rot. Bonds4

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

1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120897788) has the molecular formula C16H21ClN4O2S and a molecular weight of 368.89 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120897788
Molecular FormulaC16H21ClN4O2S
Molecular Weight368.89 g/mol
Exact Mass368.11
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.Nc1ncc(CN2CCC(C(=O)Nc3ccccc3O)CC2)s1
InChIInChI=1S/C16H20N4O2S.ClH/c17-16-18-9-12(23-16)10-20-7-5-11(6-8-20)15(22)19-13-3-1-2-4-14(13)21;/h1-4,9,11,21H,5-8,10H2,(H2,17,18)(H,19,22);1H
InChIKeyNCYDLVMHQNAZRE-UHFFFAOYSA-N
XLogP2.70
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide;hydrochloride (CID 120897788) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide;hydrochloride is Cl.Nc1ncc(CN2CCC(C(=O)Nc3ccccc3O)CC2)s1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is NCYDLVMHQNAZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S.ClH/c17-16-18-9-12(23-16)10-20-7-5-11(6-8-20)15(22)19-13-3-1-2-4-14(13)21;/h1-4,9,11,21H,5-8,10H2,(H2,17,18)(H,19,22);1H.
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide;hydrochloride?
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 368.89 g/mol, XLogP of 2.70, 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-(2-hydroxyphenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120897788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).