4-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide

C18H21N5O3S — CID 55887416

IUPAC4-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)Cc2csc(N3CCNC3=O)n2)cc1
InChIInChI=1S/C18H21N5O3S/c1-11(2)20-16(25)12-3-5-13(6-4-12)21-15(24)9-14-10-27-18(22-14)23-8-7-19-17(23)26/h3-6,10-11H,7-9H2,1-2H3,(H,19,26)(H,20,25)(H,21,24)
InChIKeyHDGLHJNMINRNNJ-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.99
Rot. Bonds6

About 4-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide

4-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 55887416) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 4-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID55887416
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name4-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)Cc2csc(N3CCNC3=O)n2)cc1
InChIInChI=1S/C18H21N5O3S/c1-11(2)20-16(25)12-3-5-13(6-4-12)21-15(24)9-14-10-27-18(22-14)23-8-7-19-17(23)26/h3-6,10-11H,7-9H2,1-2H3,(H,19,26)(H,20,25)(H,21,24)
InChIKeyHDGLHJNMINRNNJ-UHFFFAOYSA-N
XLogP1.99
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylsulfonylphenyl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55775962
N-(3-methylbutan-2-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 42961693
N-(3,5-dichlorophenyl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55729636
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55718893
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55726516
N-(3-fluorophenyl)-3-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 55888121
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55947054
N-[2-fluoro-5-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]cyclohexanecarboxamide
CID 55722966
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55718596
2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 154773884
N-(1-adamantyl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75362669
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55726799

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide (CID 55887416) is 4-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(NC(=O)Cc2csc(N3CCNC3=O)n2)cc1.
What is the InChIKey of 4-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is HDGLHJNMINRNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-11(2)20-16(25)12-3-5-13(6-4-12)21-15(24)9-14-10-27-18(22-14)23-8-7-19-17(23)26/h3-6,10-11H,7-9H2,1-2H3,(H,19,26)(H,20,25)(H,21,24).
What are the key properties of 4-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide?
4-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 387.47 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 55887416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).