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

C17H20FN3OS — CID 119286816

IUPACN-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(Cc2cnc(NC(=O)C3CCNCC3)s2)cc1F
InChIInChI=1S/C17H20FN3OS/c1-11-2-3-12(9-15(11)18)8-14-10-20-17(23-14)21-16(22)13-4-6-19-7-5-13/h2-3,9-10,13,19H,4-8H2,1H3,(H,20,21,22)
InChIKeyUYKOZEAXYGAENR-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.12
Rot. Bonds4

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

N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 119286816) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID119286816
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC NameN-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(Cc2cnc(NC(=O)C3CCNCC3)s2)cc1F
InChIInChI=1S/C17H20FN3OS/c1-11-2-3-12(9-15(11)18)8-14-10-20-17(23-14)21-16(22)13-4-6-19-7-5-13/h2-3,9-10,13,19H,4-8H2,1H3,(H,20,21,22)
InChIKeyUYKOZEAXYGAENR-UHFFFAOYSA-N
XLogP3.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 119286816) is N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is Cc1ccc(Cc2cnc(NC(=O)C3CCNCC3)s2)cc1F.
What is the InChIKey of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is UYKOZEAXYGAENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS/c1-11-2-3-12(9-15(11)18)8-14-10-20-17(23-14)21-16(22)13-4-6-19-7-5-13/h2-3,9-10,13,19H,4-8H2,1H3,(H,20,21,22).
What are the key properties of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 119286816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).