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

C14H16BrClN2S2 — CID 102838895

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
SMILESCC1c2ccsc2CCN1C(CN)c1cc(Br)c(Cl)s1
InChIInChI=1S/C14H16BrClN2S2/c1-8-9-3-5-19-12(9)2-4-18(8)11(7-17)13-6-10(15)14(16)20-13/h3,5-6,8,11H,2,4,7,17H2,1H3
InChIKeyJMTWHJGZJXBVAN-UHFFFAOYSA-N
MW391.79 g/mol
LogP4.84
Rot. Bonds3

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

2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine (PubChem CID 102838895) has the molecular formula C14H16BrClN2S2 and a molecular weight of 391.79 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
PubChem CID102838895
Molecular FormulaC14H16BrClN2S2
Molecular Weight391.79 g/mol
Exact Mass389.96
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
SMILESCC1c2ccsc2CCN1C(CN)c1cc(Br)c(Cl)s1
InChIInChI=1S/C14H16BrClN2S2/c1-8-9-3-5-19-12(9)2-4-18(8)11(7-17)13-6-10(15)14(16)20-13/h3,5-6,8,11H,2,4,7,17H2,1H3
InChIKeyJMTWHJGZJXBVAN-UHFFFAOYSA-N
XLogP4.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.79
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 102838519
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-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 102838072
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 55011700
3-methoxy-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine
CID 103225923
2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanamine
CID 102839907
2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 102838082
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-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 102839252
2-(3-ethylimidazol-4-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
CID 66133682
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 102839158

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine (CID 102838895) is 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine is CC1c2ccsc2CCN1C(CN)c1cc(Br)c(Cl)s1.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine?
The InChIKey is JMTWHJGZJXBVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2S2/c1-8-9-3-5-19-12(9)2-4-18(8)11(7-17)13-6-10(15)14(16)20-13/h3,5-6,8,11H,2,4,7,17H2,1H3.
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine?
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine has a molecular weight of 391.79 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine is sourced from PubChem (CID 102838895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).