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

C20H27N3OS — CID 51499890

IUPAC2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCC[C@@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccccc1
InChIInChI=1S/C20H27N3OS/c1-3-17(14-23-11-7-8-12-23)22-19(24)13-18-20(21-15(2)25-18)16-9-5-4-6-10-16/h4-6,9-10,17H,3,7-8,11-14H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyGBGIAMASRSGOEJ-KRWDZBQOSA-N
MW357.52 g/mol
LogP3.65
Rot. Bonds7

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

2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide (PubChem CID 51499890) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
PubChem CID51499890
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCC[C@@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccccc1
InChIInChI=1S/C20H27N3OS/c1-3-17(14-23-11-7-8-12-23)22-19(24)13-18-20(21-15(2)25-18)16-9-5-4-6-10-16/h4-6,9-10,17H,3,7-8,11-14H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyGBGIAMASRSGOEJ-KRWDZBQOSA-N
XLogP3.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide
CID 16673772
2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
CID 16674004
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505154
2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(2S)-1-piperidin-1-ylbutan-2-yl]acetamide
CID 51499926
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-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 16677625
2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-N,2-diphenylacetamide
CID 55729692
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 55743582
2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
CID 46966888
2-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505108
N-benzyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 2461104
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505046

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The IUPAC name of 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide (CID 51499890) is 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The canonical SMILES for 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide is CC[C@@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccccc1.
What is the InChIKey of 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The InChIKey is GBGIAMASRSGOEJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-3-17(14-23-11-7-8-12-23)22-19(24)13-18-20(21-15(2)25-18)16-9-5-4-6-10-16/h4-6,9-10,17H,3,7-8,11-14H2,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide has a molecular weight of 357.52 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide is sourced from PubChem (CID 51499890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).