4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid

C16H17N3O3S — CID 59481204

IUPAC4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CCN(CCc3ccccc3)C2=O)sc1C(=O)O
InChIInChI=1S/C16H17N3O3S/c1-11-13(14(20)21)23-15(17-11)19-10-9-18(16(19)22)8-7-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,20,21)
InChIKeyZRTDTBIXJJVYMB-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.63
Rot. Bonds5

About 4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 59481204) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID59481204
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CCN(CCc3ccccc3)C2=O)sc1C(=O)O
InChIInChI=1S/C16H17N3O3S/c1-11-13(14(20)21)23-15(17-11)19-10-9-18(16(19)22)8-7-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,20,21)
InChIKeyZRTDTBIXJJVYMB-UHFFFAOYSA-N
XLogP2.63
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 59481204) is 4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid is Cc1nc(N2CCN(CCc3ccccc3)C2=O)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZRTDTBIXJJVYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11-13(14(20)21)23-15(17-11)19-10-9-18(16(19)22)8-7-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,20,21).
What are the key properties of 4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 331.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 59481204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).