2-imidazol-1-yl-N-[5-[(E)-2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]acetamide

C17H19N5O2S — CID 87884819

IUPAC2-imidazol-1-yl-N-[5-[(E)-2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)Cc1cnc(/C=C/c2cnc(NC(=O)Cn3ccnc3)s2)o1
InChIInChI=1S/C17H19N5O2S/c1-12(2)7-13-8-19-16(24-13)4-3-14-9-20-17(25-14)21-15(23)10-22-6-5-18-11-22/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,20,21,23)/b4-3+
InChIKeyLGTUJFFJXIHDOL-ONEGZZNKSA-N
MW357.44 g/mol
LogP3.34
Rot. Bonds7

About 2-imidazol-1-yl-N-[5-[(E)-2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]acetamide

2-imidazol-1-yl-N-[5-[(E)-2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 87884819) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[5-[(E)-2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[5-[(E)-2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID87884819
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name2-imidazol-1-yl-N-[5-[(E)-2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)Cc1cnc(/C=C/c2cnc(NC(=O)Cn3ccnc3)s2)o1
InChIInChI=1S/C17H19N5O2S/c1-12(2)7-13-8-19-16(24-13)4-3-14-9-20-17(25-14)21-15(23)10-22-6-5-18-11-22/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,20,21,23)/b4-3+
InChIKeyLGTUJFFJXIHDOL-ONEGZZNKSA-N
XLogP3.34
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-imidazol-1-yl-N-[4-(2-methylpropyl)phenyl]acetamide
CID 134220505
2-piperazin-1-yl-N-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide
CID 11474814
N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-piperazin-1-ylacetamide
CID 54167423
N-[5-[(Z)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide
CID 59921767
1-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea
CID 59921739
2-imidazol-1-yl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17410061
N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 57160436
N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide
CID 57313431
N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-imidazol-1-ylacetamide
CID 46969511
2-imidazol-1-yl-N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
CID 58265734
3-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-1-cyclohexyl-1-methylurea
CID 54565840
2-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine
CID 102767929

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[5-[(E)-2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-imidazol-1-yl-N-[5-[(E)-2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]acetamide (CID 87884819) is 2-imidazol-1-yl-N-[5-[(E)-2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[5-[(E)-2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-imidazol-1-yl-N-[5-[(E)-2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]acetamide is CC(C)Cc1cnc(/C=C/c2cnc(NC(=O)Cn3ccnc3)s2)o1.
What is the InChIKey of 2-imidazol-1-yl-N-[5-[(E)-2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is LGTUJFFJXIHDOL-ONEGZZNKSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-12(2)7-13-8-19-16(24-13)4-3-14-9-20-17(25-14)21-15(23)10-22-6-5-18-11-22/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,20,21,23)/b4-3+.
What are the key properties of 2-imidazol-1-yl-N-[5-[(E)-2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]acetamide?
2-imidazol-1-yl-N-[5-[(E)-2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 357.44 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[5-[(E)-2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87884819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).