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

C14H23N3OS — CID 60569410

IUPAC3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCCN1CCc2sccc2C1
InChIInChI=1S/C14H23N3OS/c1-3-17(4-2)14(18)15-7-9-16-8-5-13-12(11-16)6-10-19-13/h6,10H,3-5,7-9,11H2,1-2H3,(H,15,18)
InChIKeySDUMJWAYSJWLLS-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.16
Rot. Bonds5

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

3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-diethylurea (PubChem CID 60569410) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-diethylurea
PubChem CID60569410
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCCN1CCc2sccc2C1
InChIInChI=1S/C14H23N3OS/c1-3-17(4-2)14(18)15-7-9-16-8-5-13-12(11-16)6-10-19-13/h6,10H,3-5,7-9,11H2,1-2H3,(H,15,18)
InChIKeySDUMJWAYSJWLLS-UHFFFAOYSA-N
XLogP2.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride
CID 119862338
3-[[N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide
CID 111942138
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 60569564
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methylpiperidine-1-carboxamide
CID 60569889
4-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pentanamide;dihydrochloride
CID 120564963
1-butyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-ethylurea
CID 78890521
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]furan-3-carboxamide
CID 47368373
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 86831241
5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylpentan-1-amine
CID 62437630
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylpropan-1-amine
CID 61386149
5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 176622093

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-diethylurea?
The IUPAC name of 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-diethylurea (CID 60569410) is 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-diethylurea.
What is the SMILES notation for 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-diethylurea?
The canonical SMILES for 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-diethylurea is CCN(CC)C(=O)NCCN1CCc2sccc2C1.
What is the InChIKey of 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-diethylurea?
The InChIKey is SDUMJWAYSJWLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-3-17(4-2)14(18)15-7-9-16-8-5-13-12(11-16)6-10-19-13/h6,10H,3-5,7-9,11H2,1-2H3,(H,15,18).
What are the key properties of 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-diethylurea?
3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-diethylurea has a molecular weight of 281.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-diethylurea is sourced from PubChem (CID 60569410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).