N-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide

C14H12N2OS2 — CID 80729190

IUPACN-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCc1cc(NC(=O)c2cc3sccc3s2)ccc1N
InChIInChI=1S/C14H12N2OS2/c1-8-6-9(2-3-10(8)15)16-14(17)13-7-12-11(19-13)4-5-18-12/h2-7H,15H2,1H3,(H,16,17)
InChIKeyJMWMROVYOWHODZ-UHFFFAOYSA-N
MW288.40 g/mol
LogP4.11
Rot. Bonds2

About N-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide

N-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 80729190) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID80729190
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC NameN-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCc1cc(NC(=O)c2cc3sccc3s2)ccc1N
InChIInChI=1S/C14H12N2OS2/c1-8-6-9(2-3-10(8)15)16-14(17)13-7-12-11(19-13)4-5-18-12/h2-7H,15H2,1H3,(H,16,17)
InChIKeyJMWMROVYOWHODZ-UHFFFAOYSA-N
XLogP4.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722535
N-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744719
2-methyl-5-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80723700
N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65237624
N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 112733182
N-(3-chloro-4-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 78955049
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 82862298
N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644262
N-[3-(hydroxymethyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide
CID 78986764
5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722215
N-(3-cyanophenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 112733183

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide (CID 80729190) is N-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide is Cc1cc(NC(=O)c2cc3sccc3s2)ccc1N.
What is the InChIKey of N-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is JMWMROVYOWHODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-8-6-9(2-3-10(8)15)16-14(17)13-7-12-11(19-13)4-5-18-12/h2-7H,15H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide?
N-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 288.40 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 80729190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).