(7-chloro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanamine

C15H10ClNOS2 — CID 105048658

IUPAC(7-chloro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESNC(c1cc2cccc(Cl)c2o1)c1cc2sccc2s1
InChIInChI=1S/C15H10ClNOS2/c16-9-3-1-2-8-6-10(18-15(8)9)14(17)13-7-12-11(20-13)4-5-19-12/h1-7,14H,17H2
InChIKeyLTTHJQGXDWLIIF-UHFFFAOYSA-N
MW319.84 g/mol
LogP5.41
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanamine

(7-chloro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanamine (PubChem CID 105048658) has the molecular formula C15H10ClNOS2 and a molecular weight of 319.84 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanamine.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
PubChem CID105048658
Molecular FormulaC15H10ClNOS2
Molecular Weight319.84 g/mol
Exact Mass318.99
IUPAC Name(7-chloro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESNC(c1cc2cccc(Cl)c2o1)c1cc2sccc2s1
InChIInChI=1S/C15H10ClNOS2/c16-9-3-1-2-8-6-10(18-15(8)9)14(17)13-7-12-11(20-13)4-5-19-12/h1-7,14H,17H2
InChIKeyLTTHJQGXDWLIIF-UHFFFAOYSA-N
XLogP5.41
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.84
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115830695
(7-methyl-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 115836487
(3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733867
[(7-chloro-1-benzofuran-2-yl)-thiophen-2-ylmethyl]hydrazine
CID 105193697
1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
CID 103517192
(3-chlorothiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045612
(7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 112614639
2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80745793
(7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine
CID 114730975
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 114728541
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 105048451

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanamine (CID 105048658) is (7-chloro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanamine.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanamine is NC(c1cc2cccc(Cl)c2o1)c1cc2sccc2s1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The InChIKey is LTTHJQGXDWLIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNOS2/c16-9-3-1-2-8-6-10(18-15(8)9)14(17)13-7-12-11(20-13)4-5-19-12/h1-7,14H,17H2.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanamine?
(7-chloro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanamine has a molecular weight of 319.84 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanamine is sourced from PubChem (CID 105048658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).