N-ethyl-N-[4-[[(4S)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C15H22N4O3S — CID 94866227

IUPACN-ethyl-N-[4-[[(4S)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCC[C@]1(C)NC(=O)N(Cc2csc(N(CC)C(C)=O)n2)C1=O
InChIInChI=1S/C15H22N4O3S/c1-5-7-15(4)12(21)19(13(22)17-15)8-11-9-23-14(16-11)18(6-2)10(3)20/h9H,5-8H2,1-4H3,(H,17,22)/t15-/m0/s1
InChIKeySPCDHNIOMGPYNT-HNNXBMFYSA-N
MW338.43 g/mol
LogP2.13
Rot. Bonds6

About N-ethyl-N-[4-[[(4S)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[[(4S)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 94866227) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-ethyl-N-[4-[[(4S)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[[(4S)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID94866227
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-ethyl-N-[4-[[(4S)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCC[C@]1(C)NC(=O)N(Cc2csc(N(CC)C(C)=O)n2)C1=O
InChIInChI=1S/C15H22N4O3S/c1-5-7-15(4)12(21)19(13(22)17-15)8-11-9-23-14(16-11)18(6-2)10(3)20/h9H,5-8H2,1-4H3,(H,17,22)/t15-/m0/s1
InChIKeySPCDHNIOMGPYNT-HNNXBMFYSA-N
XLogP2.13
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[[(4S)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[[(4S)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 94866227) is N-ethyl-N-[4-[[(4S)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[[(4S)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[[(4S)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CCC[C@]1(C)NC(=O)N(Cc2csc(N(CC)C(C)=O)n2)C1=O.
What is the InChIKey of N-ethyl-N-[4-[[(4S)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is SPCDHNIOMGPYNT-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-5-7-15(4)12(21)19(13(22)17-15)8-11-9-23-14(16-11)18(6-2)10(3)20/h9H,5-8H2,1-4H3,(H,17,22)/t15-/m0/s1.
What are the key properties of N-ethyl-N-[4-[[(4S)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[[(4S)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 338.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[[(4S)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 94866227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).