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

C21H29N3OS — CID 51505154

IUPAC2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCC[C@@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1
InChIInChI=1S/C21H29N3OS/c1-4-18(14-24-11-5-6-12-24)23-20(25)13-19-21(22-16(3)26-19)17-9-7-15(2)8-10-17/h7-10,18H,4-6,11-14H2,1-3H3,(H,23,25)/t18-/m0/s1
InChIKeyLTPYSCWDHASMKS-SFHVURJKSA-N
MW371.55 g/mol
LogP3.96
Rot. Bonds7

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

2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide (PubChem CID 51505154) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
PubChem CID51505154
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC Name2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCC[C@@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1
InChIInChI=1S/C21H29N3OS/c1-4-18(14-24-11-5-6-12-24)23-20(25)13-19-21(22-16(3)26-19)17-9-7-15(2)8-10-17/h7-10,18H,4-6,11-14H2,1-3H3,(H,23,25)/t18-/m0/s1
InChIKeyLTPYSCWDHASMKS-SFHVURJKSA-N
XLogP3.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 53.96
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-[(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-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(2S)-1-piperidin-1-ylbutan-2-yl]acetamide
CID 51499926
2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
CID 16674004
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
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 55743582
ethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate
CID 29435932
2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505096
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide
CID 29435290
2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-N,2-diphenylacetamide
CID 55729692
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 26362303
N-(2-fluoro-5-methylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26881825

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide (CID 51505154) is 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The canonical SMILES for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide is CC[C@@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1.
What is the InChIKey of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The InChIKey is LTPYSCWDHASMKS-SFHVURJKSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-4-18(14-24-11-5-6-12-24)23-20(25)13-19-21(22-16(3)26-19)17-9-7-15(2)8-10-17/h7-10,18H,4-6,11-14H2,1-3H3,(H,23,25)/t18-/m0/s1.
What are the key properties of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide has a molecular weight of 371.55 g/mol, XLogP of 3.96, 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-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide is sourced from PubChem (CID 51505154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).