(3R,6S)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]-6-methylpiperidine-3-carboxamide

C17H18FN3O2S — CID 95584881

IUPAC(3R,6S)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]-6-methylpiperidine-3-carboxamide
SMILESC[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C17H18FN3O2S/c1-10-6-7-11(15(19)22)8-21(10)17(23)14-9-24-16(20-14)12-4-2-3-5-13(12)18/h2-5,9-11H,6-8H2,1H3,(H2,19,22)/t10-,11+/m0/s1
InChIKeyCZCGXUQJJVFVHX-WDEREUQCSA-N
MW347.42 g/mol
LogP2.68
Rot. Bonds3

About (3R,6S)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]-6-methylpiperidine-3-carboxamide

(3R,6S)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]-6-methylpiperidine-3-carboxamide (PubChem CID 95584881) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is (3R,6S)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6S)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]-6-methylpiperidine-3-carboxamide
PubChem CID95584881
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name(3R,6S)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]-6-methylpiperidine-3-carboxamide
SMILESC[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C17H18FN3O2S/c1-10-6-7-11(15(19)22)8-21(10)17(23)14-9-24-16(20-14)12-4-2-3-5-13(12)18/h2-5,9-11H,6-8H2,1H3,(H2,19,22)/t10-,11+/m0/s1
InChIKeyCZCGXUQJJVFVHX-WDEREUQCSA-N
XLogP2.68
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,6R)-1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide
CID 95583565
1-(2-amino-1,3-thiazole-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 55116395
(3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide
CID 95151470
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 167911729
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119412889
(2R)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370414
[2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 58924876
(3-aminopiperidin-1-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 119381129
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166599
6-methyl-1-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122113740
(3R,6R)-6-methyl-1-(4-phenylthiophene-2-carbonyl)piperidine-3-carboxamide
CID 94666110
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575758

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,6S)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]-6-methylpiperidine-3-carboxamide (CID 95584881) is (3R,6S)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6S)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6S)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]-6-methylpiperidine-3-carboxamide is C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1csc(-c2ccccc2F)n1.
What is the InChIKey of (3R,6S)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is CZCGXUQJJVFVHX-WDEREUQCSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-10-6-7-11(15(19)22)8-21(10)17(23)14-9-24-16(20-14)12-4-2-3-5-13(12)18/h2-5,9-11H,6-8H2,1H3,(H2,19,22)/t10-,11+/m0/s1.
What are the key properties of (3R,6S)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]-6-methylpiperidine-3-carboxamide?
(3R,6S)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95584881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).