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

C14H19N3O2S — CID 9320904

IUPAC3-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-diazinane-2,4-dione
SMILESCC[C@@H]1c2ccsc2CCN1CN1C(=O)CCNC1=O
InChIInChI=1S/C14H19N3O2S/c1-2-11-10-5-8-20-12(10)4-7-16(11)9-17-13(18)3-6-15-14(17)19/h5,8,11H,2-4,6-7,9H2,1H3,(H,15,19)/t11-/m1/s1
InChIKeyXFBHNGNIJRDHJR-LLVKDONJSA-N
MW293.39 g/mol
LogP1.96
Rot. Bonds3

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

3-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-diazinane-2,4-dione (PubChem CID 9320904) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-diazinane-2,4-dione
PubChem CID9320904
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-diazinane-2,4-dione
SMILESCC[C@@H]1c2ccsc2CCN1CN1C(=O)CCNC1=O
InChIInChI=1S/C14H19N3O2S/c1-2-11-10-5-8-20-12(10)4-7-16(11)9-17-13(18)3-6-15-14(17)19/h5,8,11H,2-4,6-7,9H2,1H3,(H,15,19)/t11-/m1/s1
InChIKeyXFBHNGNIJRDHJR-LLVKDONJSA-N
XLogP1.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

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
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
3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-piperazin-1-ylpropan-1-one
CID 120981019
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropan-2-ol
CID 110932538
2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-propan-2-ylacetamide
CID 27120884
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
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
2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-prop-2-ynylacetamide
CID 51227314
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 41405202
1-[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]imidazolidin-2-one
CID 9000509
4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide
CID 31315480
(4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94058436

Frequently Asked Questions

What is the IUPAC name of 3-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 3-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-diazinane-2,4-dione (CID 9320904) is 3-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-diazinane-2,4-dione is CC[C@@H]1c2ccsc2CCN1CN1C(=O)CCNC1=O.
What is the InChIKey of 3-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-diazinane-2,4-dione?
The InChIKey is XFBHNGNIJRDHJR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-2-11-10-5-8-20-12(10)4-7-16(11)9-17-13(18)3-6-15-14(17)19/h5,8,11H,2-4,6-7,9H2,1H3,(H,15,19)/t11-/m1/s1.
What are the key properties of 3-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-diazinane-2,4-dione?
3-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-diazinane-2,4-dione has a molecular weight of 293.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 9320904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).