1-cyclopentyl-3-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione

C18H23N3O3S — CID 9320821

IUPAC1-cyclopentyl-3-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione
SMILESCC[C@H]1c2ccsc2CCN1CN1C(=O)C(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C18H23N3O3S/c1-2-14-13-8-10-25-15(13)7-9-19(14)11-20-16(22)17(23)21(18(20)24)12-5-3-4-6-12/h8,10,12,14H,2-7,9,11H2,1H3/t14-/m0/s1
InChIKeyIGWHMYHCSFSXLA-AWEZNQCLSA-N
MW361.47 g/mol
LogP2.75
Rot. Bonds4

About 1-cyclopentyl-3-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione

1-cyclopentyl-3-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione (PubChem CID 9320821) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-cyclopentyl-3-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione
PubChem CID9320821
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name1-cyclopentyl-3-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione
SMILESCC[C@H]1c2ccsc2CCN1CN1C(=O)C(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C18H23N3O3S/c1-2-14-13-8-10-25-15(13)7-9-19(14)11-20-16(22)17(23)21(18(20)24)12-5-3-4-6-12/h8,10,12,14H,2-7,9,11H2,1H3/t14-/m0/s1
InChIKeyIGWHMYHCSFSXLA-AWEZNQCLSA-N
XLogP2.75
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-diazinane-2,4-dione
CID 9320904
1-ethyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione
CID 9321548
3-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9320549
2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-propan-2-ylacetamide
CID 27120884
2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-prop-2-ynylacetamide
CID 51227314
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropan-2-ol
CID 110932538
3-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-5-methyl-1,3,4-thiadiazole-2-thione
CID 47120277
cyclopropyl-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]methanone
CID 46442151
4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide
CID 31315480
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 124835540
(4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94058436
3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-piperazin-1-ylpropan-1-one
CID 120981019

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-cyclopentyl-3-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione (CID 9320821) is 1-cyclopentyl-3-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-cyclopentyl-3-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-cyclopentyl-3-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione is CC[C@H]1c2ccsc2CCN1CN1C(=O)C(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 1-cyclopentyl-3-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione?
The InChIKey is IGWHMYHCSFSXLA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-2-14-13-8-10-25-15(13)7-9-19(14)11-20-16(22)17(23)21(18(20)24)12-5-3-4-6-12/h8,10,12,14H,2-7,9,11H2,1H3/t14-/m0/s1.
What are the key properties of 1-cyclopentyl-3-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione?
1-cyclopentyl-3-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione has a molecular weight of 361.47 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 9320821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).