2-(3-ethylimidazol-4-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine

C15H22N4S — CID 66133682

IUPAC2-(3-ethylimidazol-4-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
SMILESCCn1cncc1C(CN)N1CCc2sccc2C1C
InChIInChI=1S/C15H22N4S/c1-3-18-10-17-9-14(18)13(8-16)19-6-4-15-12(11(19)2)5-7-20-15/h5,7,9-11,13H,3-4,6,8,16H2,1-2H3
InChIKeyPNWGDOICWVJKOO-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.58
Rot. Bonds4

About 2-(3-ethylimidazol-4-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine

2-(3-ethylimidazol-4-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine (PubChem CID 66133682) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-(3-ethylimidazol-4-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-ethylimidazol-4-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
PubChem CID66133682
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name2-(3-ethylimidazol-4-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
SMILESCCn1cncc1C(CN)N1CCc2sccc2C1C
InChIInChI=1S/C15H22N4S/c1-3-18-10-17-9-14(18)13(8-16)19-6-4-15-12(11(19)2)5-7-20-15/h5,7,9-11,13H,3-4,6,8,16H2,1-2H3
InChIKeyPNWGDOICWVJKOO-UHFFFAOYSA-N
XLogP2.58
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 55011700
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 55011118
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-thiophen-3-ylethanamine
CID 55011117
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-propylimidazol-4-yl)ethanamine
CID 66131795
4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine
CID 55011505
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
CID 102838895
3-methoxy-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine
CID 103225923
2-(4,4-dimethylpiperidin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine
CID 66133686
2-(4-tert-butylpiperazin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine
CID 66133264
2-(3-ethylimidazol-4-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine
CID 66134503
N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine
CID 62427583
(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methanamine
CID 66134319

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylimidazol-4-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine?
The IUPAC name of 2-(3-ethylimidazol-4-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine (CID 66133682) is 2-(3-ethylimidazol-4-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine.
What is the SMILES notation for 2-(3-ethylimidazol-4-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine?
The canonical SMILES for 2-(3-ethylimidazol-4-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine is CCn1cncc1C(CN)N1CCc2sccc2C1C.
What is the InChIKey of 2-(3-ethylimidazol-4-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine?
The InChIKey is PNWGDOICWVJKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-3-18-10-17-9-14(18)13(8-16)19-6-4-15-12(11(19)2)5-7-20-15/h5,7,9-11,13H,3-4,6,8,16H2,1-2H3.
What are the key properties of 2-(3-ethylimidazol-4-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine?
2-(3-ethylimidazol-4-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine has a molecular weight of 290.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylimidazol-4-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine is sourced from PubChem (CID 66133682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).