N-[4-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

C17H26N4O3S — CID 30757324

IUPACN-[4-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCCC1(CCC)NC(=O)N(Cc2csc(N(CC)C(C)=O)n2)C1=O
InChIInChI=1S/C17H26N4O3S/c1-5-8-17(9-6-2)14(23)21(15(24)19-17)10-13-11-25-16(18-13)20(7-3)12(4)22/h11H,5-10H2,1-4H3,(H,19,24)
InChIKeyVFKNDURAGMGJRN-UHFFFAOYSA-N
MW366.49 g/mol
LogP2.91
Rot. Bonds8

About N-[4-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

N-[4-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 30757324) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[4-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID30757324
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC NameN-[4-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCCC1(CCC)NC(=O)N(Cc2csc(N(CC)C(C)=O)n2)C1=O
InChIInChI=1S/C17H26N4O3S/c1-5-8-17(9-6-2)14(23)21(15(24)19-17)10-13-11-25-16(18-13)20(7-3)12(4)22/h11H,5-10H2,1-4H3,(H,19,24)
InChIKeyVFKNDURAGMGJRN-UHFFFAOYSA-N
XLogP2.91
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 56908759
2-(6-aminohexanoylamino)-N-[4-[3-(dimethylamino)propylcarbamoyl]thiazol-2-yl]thiazole-4-carboxamide
CID 479274
2-(6-aminohexanoylamino)-N-[4-(6-aminohexylcarbamoyl)thiazol-2-yl]thiazole-4-carboxamide
CID 479279
N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 25468437
2-Cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158495
Cyclopentyl-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158499
2-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 45816141
4-methyl-N-[[2-[methyl(4-methylpentanoyl)amino]-1,3-thiazol-4-yl]methyl]pentanamide
CID 53588069
N-[[2-[cyclopentanecarbonyl(methyl)amino]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
CID 53599532
5,5-Dicyclopropyl-3-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]imidazolidine-2,4-dione
CID 56822837
4-{[(3R*,4S*)-3-amino-4-propylpyrrolidin-1-yl]carbonyl}-N-methyl-1,3-thiazol-2-amine
CID 72910931
(2S)-2-(2-oxopyrrolidin-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 97936177

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (CID 30757324) is N-[4-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is CCCC1(CCC)NC(=O)N(Cc2csc(N(CC)C(C)=O)n2)C1=O.
What is the InChIKey of N-[4-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is VFKNDURAGMGJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-5-8-17(9-6-2)14(23)21(15(24)19-17)10-13-11-25-16(18-13)20(7-3)12(4)22/h11H,5-10H2,1-4H3,(H,19,24).
What are the key properties of N-[4-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 366.49 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 30757324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).