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

C16H18FN3OS — CID 119286796

IUPACN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2F)s1)C1CCNCC1
InChIInChI=1S/C16H18FN3OS/c17-14-4-2-1-3-12(14)9-13-10-19-16(22-13)20-15(21)11-5-7-18-8-6-11/h1-4,10-11,18H,5-9H2,(H,19,20,21)
InChIKeyRBJZJSMXAUXDJW-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.81
Rot. Bonds4

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

N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 119286796) has the molecular formula C16H18FN3OS and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID119286796
Molecular FormulaC16H18FN3OS
Molecular Weight319.40 g/mol
Exact Mass319.12
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2F)s1)C1CCNCC1
InChIInChI=1S/C16H18FN3OS/c17-14-4-2-1-3-12(14)9-13-10-19-16(22-13)20-15(21)11-5-7-18-8-6-11/h1-4,10-11,18H,5-9H2,(H,19,20,21)
InChIKeyRBJZJSMXAUXDJW-UHFFFAOYSA-N
XLogP2.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119286816
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2227870
(3R)-1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 129468818
N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 51081209
1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122093544
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide
CID 119718739
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119278182
2-(4-fluoroanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2239908
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78892359
N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405192
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55993442
1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18130138

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 119286796) is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is O=C(Nc1ncc(Cc2ccccc2F)s1)C1CCNCC1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is RBJZJSMXAUXDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS/c17-14-4-2-1-3-12(14)9-13-10-19-16(22-13)20-15(21)11-5-7-18-8-6-11/h1-4,10-11,18H,5-9H2,(H,19,20,21).
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 119286796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).