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

C14H23N3S — CID 55121504

IUPAC5-[2-(1,4-diazepan-1-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1cc2c(s1)CCN(CCN1CCCNCC1)C2
InChIInChI=1S/C14H23N3S/c1-4-15-5-8-16(6-1)9-10-17-7-2-14-13(12-17)3-11-18-14/h3,11,15H,1-2,4-10,12H2
InChIKeyNOTSYEMHEJRJSP-UHFFFAOYSA-N
MW265.43 g/mol
LogP1.40
Rot. Bonds3

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

5-[2-(1,4-diazepan-1-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 55121504) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 5-[2-(1,4-diazepan-1-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[2-(1,4-diazepan-1-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID55121504
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name5-[2-(1,4-diazepan-1-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1cc2c(s1)CCN(CCN1CCCNCC1)C2
InChIInChI=1S/C14H23N3S/c1-4-15-5-8-16(6-1)9-10-17-7-2-14-13(12-17)3-11-18-14/h3,11,15H,1-2,4-10,12H2
InChIKeyNOTSYEMHEJRJSP-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-piperazin-1-ylethyl)-1,3,4,5-tetrahydro-2-benzazepine
CID 55166762
5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 119929942
5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 130634537
5-(piperidin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 119929943
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-piperazin-1-ylethanone
CID 16770326
5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 176622093
5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 52551128
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918076
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
[1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]triazol-4-yl]methanamine
CID 55069976
[1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclohexyl]methanamine
CID 104678673
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,4-diazepan-1-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[2-(1,4-diazepan-1-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 55121504) is 5-[2-(1,4-diazepan-1-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[2-(1,4-diazepan-1-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[2-(1,4-diazepan-1-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is c1cc2c(s1)CCN(CCN1CCCNCC1)C2.
What is the InChIKey of 5-[2-(1,4-diazepan-1-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is NOTSYEMHEJRJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-4-15-5-8-16(6-1)9-10-17-7-2-14-13(12-17)3-11-18-14/h3,11,15H,1-2,4-10,12H2.
What are the key properties of 5-[2-(1,4-diazepan-1-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[2-(1,4-diazepan-1-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 265.43 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,4-diazepan-1-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 55121504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).