2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(2S)-1-piperidin-1-ylbutan-2-yl]acetamide

C21H28FN3OS — CID 51499926

IUPAC2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(2S)-1-piperidin-1-ylbutan-2-yl]acetamide
SMILESCC[C@@H](CN1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H28FN3OS/c1-3-18(14-25-11-5-4-6-12-25)24-20(26)13-19-21(23-15(2)27-19)16-7-9-17(22)10-8-16/h7-10,18H,3-6,11-14H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyMCWAVATYKZWPLG-SFHVURJKSA-N
MW389.54 g/mol
LogP4.18
Rot. Bonds7

About 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(2S)-1-piperidin-1-ylbutan-2-yl]acetamide

2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(2S)-1-piperidin-1-ylbutan-2-yl]acetamide (PubChem CID 51499926) has the molecular formula C21H28FN3OS and a molecular weight of 389.54 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(2S)-1-piperidin-1-ylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(2S)-1-piperidin-1-ylbutan-2-yl]acetamide
PubChem CID51499926
Molecular FormulaC21H28FN3OS
Molecular Weight389.54 g/mol
Exact Mass389.19
IUPAC Name2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(2S)-1-piperidin-1-ylbutan-2-yl]acetamide
SMILESCC[C@@H](CN1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H28FN3OS/c1-3-18(14-25-11-5-4-6-12-25)24-20(26)13-19-21(23-15(2)27-19)16-7-9-17(22)10-8-16/h7-10,18H,3-6,11-14H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyMCWAVATYKZWPLG-SFHVURJKSA-N
XLogP4.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505154
2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
CID 16674004
2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51499890
2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide
CID 16673772
2-hydroxypropane-1,2,3-tricarboxylic acid;2-[4-(4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]-N-(1-piperidin-1-ylbutan-2-yl)acetamide
CID 171700633
2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35256982
N-(4-fluorophenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26915494
N-(2-ethyl-6-methylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
CID 8761777
N-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
CID 8714276
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
CID 43010055
N-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide
CID 11682564
N-(1-piperidin-1-ylbutan-2-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 16674001

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(2S)-1-piperidin-1-ylbutan-2-yl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(2S)-1-piperidin-1-ylbutan-2-yl]acetamide (CID 51499926) is 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(2S)-1-piperidin-1-ylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(2S)-1-piperidin-1-ylbutan-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(2S)-1-piperidin-1-ylbutan-2-yl]acetamide is CC[C@@H](CN1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(2S)-1-piperidin-1-ylbutan-2-yl]acetamide?
The InChIKey is MCWAVATYKZWPLG-SFHVURJKSA-N. The full InChI is InChI=1S/C21H28FN3OS/c1-3-18(14-25-11-5-4-6-12-25)24-20(26)13-19-21(23-15(2)27-19)16-7-9-17(22)10-8-16/h7-10,18H,3-6,11-14H2,1-2H3,(H,24,26)/t18-/m0/s1.
What are the key properties of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(2S)-1-piperidin-1-ylbutan-2-yl]acetamide?
2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(2S)-1-piperidin-1-ylbutan-2-yl]acetamide has a molecular weight of 389.54 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(2S)-1-piperidin-1-ylbutan-2-yl]acetamide is sourced from PubChem (CID 51499926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).