2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine

C13H11ClN2S2 — CID 112655417

IUPAC2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESNC(Cc1ccncc1Cl)c1cc2sccc2s1
InChIInChI=1S/C13H11ClN2S2/c14-9-7-16-3-1-8(9)5-10(15)12-6-13-11(18-12)2-4-17-13/h1-4,6-7,10H,5,15H2
InChIKeyGAQPBWBKSTXKIS-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.25
Rot. Bonds3

About 2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine

2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine (PubChem CID 112655417) has the molecular formula C13H11ClN2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
PubChem CID112655417
Molecular FormulaC13H11ClN2S2
Molecular Weight294.83 g/mol
Exact Mass294.01
IUPAC Name2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESNC(Cc1ccncc1Cl)c1cc2sccc2s1
InChIInChI=1S/C13H11ClN2S2/c14-9-7-16-3-1-8(9)5-10(15)12-6-13-11(18-12)2-4-17-13/h1-4,6-7,10H,5,15H2
InChIKeyGAQPBWBKSTXKIS-UHFFFAOYSA-N
XLogP4.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-2-thieno[3,2-b]thiophen-5-ylethyl)-3-chloropyridine
CID 112656055
2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80745793
1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655446
2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105034758
2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115830695
2-(1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105015351
2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80738576
(3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733867
2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]pyridin-6-ylethanol
CID 81143765
4-[2-(1-benzothiophen-2-yl)-2-bromoethyl]-3-chloropyridine
CID 112656160
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine
CID 112655409
1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 80738455

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine (CID 112655417) is 2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine is NC(Cc1ccncc1Cl)c1cc2sccc2s1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The InChIKey is GAQPBWBKSTXKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2S2/c14-9-7-16-3-1-8(9)5-10(15)12-6-13-11(18-12)2-4-17-13/h1-4,6-7,10H,5,15H2.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine has a molecular weight of 294.83 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine is sourced from PubChem (CID 112655417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).