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

C14H17N3O3S — CID 9321548

IUPAC1-ethyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CN2CCc3sccc3[C@H]2C)C1=O
InChIInChI=1S/C14H17N3O3S/c1-3-16-12(18)13(19)17(14(16)20)8-15-6-4-11-10(9(15)2)5-7-21-11/h5,7,9H,3-4,6,8H2,1-2H3/t9-/m1/s1
InChIKeyQNINKJQHFICBAR-SECBINFHSA-N
MW307.38 g/mol
LogP1.44
Rot. Bonds3

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

1-ethyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione (PubChem CID 9321548) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-ethyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-ethyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione
PubChem CID9321548
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name1-ethyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CN2CCc3sccc3[C@H]2C)C1=O
InChIInChI=1S/C14H17N3O3S/c1-3-16-12(18)13(19)17(14(16)20)8-15-6-4-11-10(9(15)2)5-7-21-11/h5,7,9H,3-4,6,8H2,1-2H3/t9-/m1/s1
InChIKeyQNINKJQHFICBAR-SECBINFHSA-N
XLogP1.44
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.44
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

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
2-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-nitroisoindole-1,3-dione
CID 9321058
2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-prop-2-ynylacetamide
CID 9000758
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile
CID 60699782
N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide
CID 102555946
2-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-2-amine
CID 55008664
2-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-2-ol
CID 114495544
1-[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]imidazolidin-2-one
CID 9000509
3-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-diazinane-2,4-dione
CID 9320904
5,6-dimethyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3-oxopyridazine-4-carbonitrile
CID 9321756
2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one
CID 42889483
2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]butan-1-amine
CID 55056659

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 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) is 1-ethyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-ethyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-ethyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione is CCN1C(=O)C(=O)N(CN2CCc3sccc3[C@H]2C)C1=O.
What is the InChIKey of 1-ethyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione?
The InChIKey is QNINKJQHFICBAR-SECBINFHSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-3-16-12(18)13(19)17(14(16)20)8-15-6-4-11-10(9(15)2)5-7-21-11/h5,7,9H,3-4,6,8H2,1-2H3/t9-/m1/s1.
What are the key properties of 1-ethyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione?
1-ethyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione has a molecular weight of 307.38 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 9321548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).