3-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoimidazolidine-1-carboxamide

C12H18N4O2S — CID 119048108

IUPAC3-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoimidazolidine-1-carboxamide
SMILESCCN1CN(C(=O)NCCc2ncc(C)s2)CC1=O
InChIInChI=1S/C12H18N4O2S/c1-3-15-8-16(7-11(15)17)12(18)13-5-4-10-14-6-9(2)19-10/h6H,3-5,7-8H2,1-2H3,(H,13,18)
InChIKeyMFNFPPDJFLPHAE-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.83
Rot. Bonds4

About 3-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoimidazolidine-1-carboxamide

3-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoimidazolidine-1-carboxamide (PubChem CID 119048108) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoimidazolidine-1-carboxamide
PubChem CID119048108
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name3-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoimidazolidine-1-carboxamide
SMILESCCN1CN(C(=O)NCCc2ncc(C)s2)CC1=O
InChIInChI=1S/C12H18N4O2S/c1-3-15-8-16(7-11(15)17)12(18)13-5-4-10-14-6-9(2)19-10/h6H,3-5,7-8H2,1-2H3,(H,13,18)
InChIKeyMFNFPPDJFLPHAE-UHFFFAOYSA-N
XLogP0.83
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-Ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 71981647
N,N-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide
CID 71868531
1-(2-Oxo-2-pyrrolidin-1-ylethyl)-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 72006421
1-(1-Cyclopentylpyrrolidin-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75521290
(5S)-5-tert-butyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione
CID 86783096
N,N-dimethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 86789745
(2S)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N,N-dimethylpropanamide
CID 86819563
(2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide
CID 97242103
N-methyl-2-[[N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]carbamimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 112045465
N-methyl-2-[[N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]carbamimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 112045466
2-[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 112045496
2-[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112045497

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoimidazolidine-1-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoimidazolidine-1-carboxamide (CID 119048108) is 3-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoimidazolidine-1-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoimidazolidine-1-carboxamide is CCN1CN(C(=O)NCCc2ncc(C)s2)CC1=O.
What is the InChIKey of 3-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoimidazolidine-1-carboxamide?
The InChIKey is MFNFPPDJFLPHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-3-15-8-16(7-11(15)17)12(18)13-5-4-10-14-6-9(2)19-10/h6H,3-5,7-8H2,1-2H3,(H,13,18).
What are the key properties of 3-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoimidazolidine-1-carboxamide?
3-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoimidazolidine-1-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 119048108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).