2-fluoro-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C18H21FN4O2S — CID 119493531

IUPAC2-fluoro-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCNC1CCCN(C(=O)Cc2csc(NC(=O)c3ccccc3F)n2)C1
InChIInChI=1S/C18H21FN4O2S/c1-20-12-5-4-8-23(10-12)16(24)9-13-11-26-18(21-13)22-17(25)14-6-2-3-7-15(14)19/h2-3,6-7,11-12,20H,4-5,8-10H2,1H3,(H,21,22,25)
InChIKeyQMCILIPHQGTCQH-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.29
Rot. Bonds5

About 2-fluoro-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

2-fluoro-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 119493531) has the molecular formula C18H21FN4O2S and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-fluoro-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID119493531
Molecular FormulaC18H21FN4O2S
Molecular Weight376.46 g/mol
Exact Mass376.14
IUPAC Name2-fluoro-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCNC1CCCN(C(=O)Cc2csc(NC(=O)c3ccccc3F)n2)C1
InChIInChI=1S/C18H21FN4O2S/c1-20-12-5-4-8-23(10-12)16(24)9-13-11-26-18(21-13)22-17(25)14-6-2-3-7-15(14)19/h2-3,6-7,11-12,20H,4-5,8-10H2,1H3,(H,21,22,25)
InChIKeyQMCILIPHQGTCQH-UHFFFAOYSA-N
XLogP2.29
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 119491044
2-fluoro-N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide
CID 56550936
2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 119489393
N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 119489535
N-[4-[2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 55706955
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124575158
1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 119488489
1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide
CID 49352343
2-(2-tert-butyl-1,3-thiazol-4-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119493816
1-(4-fluorophenyl)-3-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 44922369
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119492797
N-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55648397

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 119493531) is 2-fluoro-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is CNC1CCCN(C(=O)Cc2csc(NC(=O)c3ccccc3F)n2)C1.
What is the InChIKey of 2-fluoro-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is QMCILIPHQGTCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2S/c1-20-12-5-4-8-23(10-12)16(24)9-13-11-26-18(21-13)22-17(25)14-6-2-3-7-15(14)19/h2-3,6-7,11-12,20H,4-5,8-10H2,1H3,(H,21,22,25).
What are the key properties of 2-fluoro-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
2-fluoro-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 119493531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).