2-[5-(5-aminothieno[3,2-b]thiophen-2-yl)thiophen-2-yl]-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]terephthalic acid

C29H17NO4S6 — CID 143843970

IUPAC2-[5-(5-aminothieno[3,2-b]thiophen-2-yl)thiophen-2-yl]-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]terephthalic acid
SMILESCc1cc2sc(-c3ccc(-c4cc(C(=O)O)c(-c5ccc(-c6cc7sc(N)cc7s6)s5)cc4C(=O)O)s3)cc2s1
InChIInChI=1S/C29H17NO4S6/c1-12-6-21-24(35-12)9-22(38-21)19-4-2-17(36-19)13-7-16(29(33)34)14(8-15(13)28(31)32)18-3-5-20(37-18)23-10-25-26(39-23)11-27(30)40-25/h2-11H,30H2,1H3,(H,31,32)(H,33,34)
InChIKeyGDGMMWDFYLSPSA-UHFFFAOYSA-N
MW635.86 g/mol
LogP10.32
Rot. Bonds6

About 2-[5-(5-aminothieno[3,2-b]thiophen-2-yl)thiophen-2-yl]-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]terephthalic acid

2-[5-(5-aminothieno[3,2-b]thiophen-2-yl)thiophen-2-yl]-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]terephthalic acid (PubChem CID 143843970) has the molecular formula C29H17NO4S6 and a molecular weight of 635.86 g/mol. Its IUPAC name is 2-[5-(5-aminothieno[3,2-b]thiophen-2-yl)thiophen-2-yl]-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]terephthalic acid.

Molecular Properties

Compound Name2-[5-(5-aminothieno[3,2-b]thiophen-2-yl)thiophen-2-yl]-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]terephthalic acid
PubChem CID143843970
Molecular FormulaC29H17NO4S6
Molecular Weight635.86 g/mol
Exact Mass634.95
IUPAC Name2-[5-(5-aminothieno[3,2-b]thiophen-2-yl)thiophen-2-yl]-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]terephthalic acid
SMILESCc1cc2sc(-c3ccc(-c4cc(C(=O)O)c(-c5ccc(-c6cc7sc(N)cc7s6)s5)cc4C(=O)O)s3)cc2s1
InChIInChI=1S/C29H17NO4S6/c1-12-6-21-24(35-12)9-22(38-21)19-4-2-17(36-19)13-7-16(29(33)34)14(8-15(13)28(31)32)18-3-5-20(37-18)23-10-25-26(39-23)11-27(30)40-25/h2-11H,30H2,1H3,(H,31,32)(H,33,34)
InChIKeyGDGMMWDFYLSPSA-UHFFFAOYSA-N
XLogP10.32
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.86
LogP ≤ 510.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[5-(5-aminothieno[3,2-b]thiophen-2-yl)thiophen-2-yl]-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]terephthalic acid with MolForge

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Related Compounds

2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene
CID 89495689
2,5-bis[5-(4-methylphenyl)thiophen-2-yl]terephthalic acid
CID 58224385
2,5-bis[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]terephthalic acid;2,5-dimethyl-3,6-bis[5-(5-methyl-1-benzothiophen-2-yl)thiophen-2-yl]terephthalic acid
CID 158430750
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014682
2-methylthieno[3,2-b]thiophene-5-carboxylic acid
CID 901435
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane
CID 161142248
7-methyl-2-[5-(7-methylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thieno[3,2-e][1]benzothiole
CID 143769844
dimethyl 2,5-bis(5-methylthiophen-2-yl)benzene-1,4-dicarboxylate
CID 58224320
2-amino-5-(3-fluoro-4-methylphenyl)pyridine-4-carboxylic acid
CID 53222855
bis(5-amino-2-(4-amino-2-carboxyphenyl)benzoic acid);hydrate
CID 174768494
5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid
CID 135215247
diethyl 2-[4-[2,5-bis(ethoxycarbonyl)-4-(5-trimethylsilylthieno[3,2-b]thiophen-2-yl)phenyl]phenyl]-5-(5-trimethylsilylthieno[3,2-b]thiophen-2-yl)benzene-1,4-dicarboxylate
CID 90060811

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-aminothieno[3,2-b]thiophen-2-yl)thiophen-2-yl]-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]terephthalic acid?
The IUPAC name of 2-[5-(5-aminothieno[3,2-b]thiophen-2-yl)thiophen-2-yl]-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]terephthalic acid (CID 143843970) is 2-[5-(5-aminothieno[3,2-b]thiophen-2-yl)thiophen-2-yl]-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]terephthalic acid.
What is the SMILES notation for 2-[5-(5-aminothieno[3,2-b]thiophen-2-yl)thiophen-2-yl]-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]terephthalic acid?
The canonical SMILES for 2-[5-(5-aminothieno[3,2-b]thiophen-2-yl)thiophen-2-yl]-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]terephthalic acid is Cc1cc2sc(-c3ccc(-c4cc(C(=O)O)c(-c5ccc(-c6cc7sc(N)cc7s6)s5)cc4C(=O)O)s3)cc2s1.
What is the InChIKey of 2-[5-(5-aminothieno[3,2-b]thiophen-2-yl)thiophen-2-yl]-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]terephthalic acid?
The InChIKey is GDGMMWDFYLSPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17NO4S6/c1-12-6-21-24(35-12)9-22(38-21)19-4-2-17(36-19)13-7-16(29(33)34)14(8-15(13)28(31)32)18-3-5-20(37-18)23-10-25-26(39-23)11-27(30)40-25/h2-11H,30H2,1H3,(H,31,32)(H,33,34).
What are the key properties of 2-[5-(5-aminothieno[3,2-b]thiophen-2-yl)thiophen-2-yl]-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]terephthalic acid?
2-[5-(5-aminothieno[3,2-b]thiophen-2-yl)thiophen-2-yl]-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]terephthalic acid has a molecular weight of 635.86 g/mol, XLogP of 10.32, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-aminothieno[3,2-b]thiophen-2-yl)thiophen-2-yl]-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]terephthalic acid is sourced from PubChem (CID 143843970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).