N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide

C20H27FN4O2S — CID 112840462

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCCc1nc(NC(=O)CN2CCN(Cc3cc(F)ccc3OC)CC2)sc1C
InChIInChI=1S/C20H27FN4O2S/c1-4-17-14(2)28-20(22-17)23-19(26)13-25-9-7-24(8-10-25)12-15-11-16(21)5-6-18(15)27-3/h5-6,11H,4,7-10,12-13H2,1-3H3,(H,22,23,26)
InChIKeyVWFIQWSUTVBQRY-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.92
Rot. Bonds7

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 112840462) has the molecular formula C20H27FN4O2S and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID112840462
Molecular FormulaC20H27FN4O2S
Molecular Weight406.53 g/mol
Exact Mass406.18
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCCc1nc(NC(=O)CN2CCN(Cc3cc(F)ccc3OC)CC2)sc1C
InChIInChI=1S/C20H27FN4O2S/c1-4-17-14(2)28-20(22-17)23-19(26)13-25-9-7-24(8-10-25)12-15-11-16(21)5-6-18(15)27-3/h5-6,11H,4,7-10,12-13H2,1-3H3,(H,22,23,26)
InChIKeyVWFIQWSUTVBQRY-UHFFFAOYSA-N
XLogP2.92
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436150
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 46690058
2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 55841850
N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436232
N-(5-chloro-2-fluorophenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436466
2-[4-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60505092
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 8749879
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9436194
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide
CID 60508249
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436316
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436434
ethyl 2-[[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 17278379

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide (CID 112840462) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide is CCc1nc(NC(=O)CN2CCN(Cc3cc(F)ccc3OC)CC2)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is VWFIQWSUTVBQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2S/c1-4-17-14(2)28-20(22-17)23-19(26)13-25-9-7-24(8-10-25)12-15-11-16(21)5-6-18(15)27-3/h5-6,11H,4,7-10,12-13H2,1-3H3,(H,22,23,26).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 406.53 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 112840462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).