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

C17H18FN3O2S — CID 24799233

IUPACN-[(3-fluorophenyl)methyl]-4-methyl-2-(2-oxopiperidin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCCCC2=O)sc1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C17H18FN3O2S/c1-11-15(16(23)19-10-12-5-4-6-13(18)9-12)24-17(20-11)21-8-3-2-7-14(21)22/h4-6,9H,2-3,7-8,10H2,1H3,(H,19,23)
InChIKeyIDLPTYCLPLPWJW-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.04
Rot. Bonds4

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

N-[(3-fluorophenyl)methyl]-4-methyl-2-(2-oxopiperidin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 24799233) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-methyl-2-(2-oxopiperidin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-methyl-2-(2-oxopiperidin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID24799233
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC NameN-[(3-fluorophenyl)methyl]-4-methyl-2-(2-oxopiperidin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCCCC2=O)sc1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C17H18FN3O2S/c1-11-15(16(23)19-10-12-5-4-6-13(18)9-12)24-17(20-11)21-8-3-2-7-14(21)22/h4-6,9H,2-3,7-8,10H2,1H3,(H,19,23)
InChIKeyIDLPTYCLPLPWJW-UHFFFAOYSA-N
XLogP3.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(methylcarbamoyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911406
2-[(benzylcarbamoyl)amino]-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911412
2-[(butylcarbamoyl)amino]-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21985432
CCR3 Antagonist
CID 11329244
1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-acetylpiperidin-3-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
CID 11953409
1-((3S,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)piperidin-4-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
CID 44445845
1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)piperidin-3-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
CID 44445847
1-((3R,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-(methylcarbamoyl)piperidin-4-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
CID 44445865
1-((3R,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-(2-fluoroethyl)piperidin-4-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
CID 44445872
1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-(methylcarbamoyl)piperidin-3-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
CID 44445886
1-[2-(Benzylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 963386
2-(Cyclopropanecarbonyl-amino)-4-methyl-thiazole-5-carboxylic acid o-tolylamide
CID 857264

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-methyl-2-(2-oxopiperidin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-methyl-2-(2-oxopiperidin-1-yl)-1,3-thiazole-5-carboxamide (CID 24799233) is N-[(3-fluorophenyl)methyl]-4-methyl-2-(2-oxopiperidin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-methyl-2-(2-oxopiperidin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-methyl-2-(2-oxopiperidin-1-yl)-1,3-thiazole-5-carboxamide is Cc1nc(N2CCCCC2=O)sc1C(=O)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-methyl-2-(2-oxopiperidin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is IDLPTYCLPLPWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-11-15(16(23)19-10-12-5-4-6-13(18)9-12)24-17(20-11)21-8-3-2-7-14(21)22/h4-6,9H,2-3,7-8,10H2,1H3,(H,19,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-methyl-2-(2-oxopiperidin-1-yl)-1,3-thiazole-5-carboxamide?
N-[(3-fluorophenyl)methyl]-4-methyl-2-(2-oxopiperidin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-methyl-2-(2-oxopiperidin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24799233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).