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

C16H19ClN4O2S — CID 120904918

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide
SMILESNc1ncc(CN2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)s1
InChIInChI=1S/C16H19ClN4O2S/c17-11-1-2-14(22)13(7-11)20-15(23)10-3-5-21(6-4-10)9-12-8-19-16(18)24-12/h1-2,7-8,10,22H,3-6,9H2,(H2,18,19)(H,20,23)
InChIKeyMCCUKNFFSQHEQY-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.93
Rot. Bonds4

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

1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide (PubChem CID 120904918) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide
PubChem CID120904918
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide
SMILESNc1ncc(CN2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)s1
InChIInChI=1S/C16H19ClN4O2S/c17-11-1-2-14(22)13(7-11)20-15(23)10-3-5-21(6-4-10)9-12-8-19-16(18)24-12/h1-2,7-8,10,22H,3-6,9H2,(H2,18,19)(H,20,23)
InChIKeyMCCUKNFFSQHEQY-UHFFFAOYSA-N
XLogP2.93
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.93
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-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide (CID 120904918) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide is Nc1ncc(CN2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)s1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide?
The InChIKey is MCCUKNFFSQHEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S/c17-11-1-2-14(22)13(7-11)20-15(23)10-3-5-21(6-4-10)9-12-8-19-16(18)24-12/h1-2,7-8,10,22H,3-6,9H2,(H2,18,19)(H,20,23).
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide?
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide has a molecular weight of 366.87 g/mol, XLogP of 2.93, 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-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 120904918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).