ethyl 4-methyl-2-[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate

C18H23N3O3S — CID 145494805

IUPACethyl 4-methyl-2-[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CCN(CC3=CC(C)CC=C3)C2=O)nc1C
InChIInChI=1S/C18H23N3O3S/c1-4-24-16(22)15-13(3)19-17(25-15)21-9-8-20(18(21)23)11-14-7-5-6-12(2)10-14/h5,7,10,12H,4,6,8-9,11H2,1-3H3
InChIKeyZNSRQKPWCDESOP-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.39
Rot. Bonds5

About ethyl 4-methyl-2-[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate (PubChem CID 145494805) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is ethyl 4-methyl-2-[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate
PubChem CID145494805
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Nameethyl 4-methyl-2-[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CCN(CC3=CC(C)CC=C3)C2=O)nc1C
InChIInChI=1S/C18H23N3O3S/c1-4-24-16(22)15-13(3)19-17(25-15)21-9-8-20(18(21)23)11-14-7-5-6-12(2)10-14/h5,7,10,12H,4,6,8-9,11H2,1-3H3
InChIKeyZNSRQKPWCDESOP-UHFFFAOYSA-N
XLogP3.39
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate (CID 145494805) is ethyl 4-methyl-2-[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N2CCN(CC3=CC(C)CC=C3)C2=O)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is ZNSRQKPWCDESOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-24-16(22)15-13(3)19-17(25-15)21-9-8-20(18(21)23)11-14-7-5-6-12(2)10-14/h5,7,10,12H,4,6,8-9,11H2,1-3H3.
What are the key properties of ethyl 4-methyl-2-[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 361.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 145494805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).