2,5-bis[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]thiophene-3,4-diamine

C26H20F2N2S3 — CID 145023033

IUPAC2,5-bis[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]thiophene-3,4-diamine
SMILESCc1ccc(-c2ccc(-c3sc(-c4ccc(-c5ccc(C)cc5F)s4)c(N)c3N)s2)c(F)c1
InChIInChI=1S/C26H20F2N2S3/c1-13-3-5-15(17(27)11-13)19-7-9-21(31-19)25-23(29)24(30)26(33-25)22-10-8-20(32-22)16-6-4-14(2)12-18(16)28/h3-12H,29-30H2,1-2H3
InChIKeyNKBAJWLRBVHJJI-UHFFFAOYSA-N
MW494.66 g/mol
LogP8.60
Rot. Bonds4

About 2,5-bis[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]thiophene-3,4-diamine

2,5-bis[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]thiophene-3,4-diamine (PubChem CID 145023033) has the molecular formula C26H20F2N2S3 and a molecular weight of 494.66 g/mol. Its IUPAC name is 2,5-bis[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]thiophene-3,4-diamine.

Molecular Properties

Compound Name2,5-bis[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]thiophene-3,4-diamine
PubChem CID145023033
Molecular FormulaC26H20F2N2S3
Molecular Weight494.66 g/mol
Exact Mass494.08
IUPAC Name2,5-bis[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]thiophene-3,4-diamine
SMILESCc1ccc(-c2ccc(-c3sc(-c4ccc(-c5ccc(C)cc5F)s4)c(N)c3N)s2)c(F)c1
InChIInChI=1S/C26H20F2N2S3/c1-13-3-5-15(17(27)11-13)19-7-9-21(31-19)25-23(29)24(30)26(33-25)22-10-8-20(32-22)16-6-4-14(2)12-18(16)28/h3-12H,29-30H2,1-2H3
InChIKeyNKBAJWLRBVHJJI-UHFFFAOYSA-N
XLogP8.60
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.66
LogP ≤ 58.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine
CID 43154452
7-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]-4-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]-2,1,3-benzothiadiazole
CID 130222216
3-fluoro-4-(2-fluoro-4-methylphenyl)aniline
CID 90222645
3-amino-5-(2-fluoro-4-methylphenyl)-4-methylthiophene-2-carboxylic acid
CID 83035985
2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-amine
CID 83107735
2-[5-(2-hydroxy-4-methylphenyl)thiophen-2-yl]-5-methylphenol
CID 174853056
5-methyl-2-(2,4,5-trifluorophenyl)aniline
CID 82766150
3-fluoro-4-[5-(2-fluoro-4-hydroxyphenyl)thiophen-2-yl]phenol
CID 71624341
4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 58046583
6-amino-3-(2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid
CID 53229212
1-(2,5-dimethylphenyl)-2-fluoro-4-methylbenzene
CID 138652236
2-fluoro-1-(2-fluorophenyl)-4-methylbenzene
CID 46313956

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]thiophene-3,4-diamine?
The IUPAC name of 2,5-bis[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]thiophene-3,4-diamine (CID 145023033) is 2,5-bis[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]thiophene-3,4-diamine.
What is the SMILES notation for 2,5-bis[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]thiophene-3,4-diamine?
The canonical SMILES for 2,5-bis[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]thiophene-3,4-diamine is Cc1ccc(-c2ccc(-c3sc(-c4ccc(-c5ccc(C)cc5F)s4)c(N)c3N)s2)c(F)c1.
What is the InChIKey of 2,5-bis[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]thiophene-3,4-diamine?
The InChIKey is NKBAJWLRBVHJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N2S3/c1-13-3-5-15(17(27)11-13)19-7-9-21(31-19)25-23(29)24(30)26(33-25)22-10-8-20(32-22)16-6-4-14(2)12-18(16)28/h3-12H,29-30H2,1-2H3.
What are the key properties of 2,5-bis[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]thiophene-3,4-diamine?
2,5-bis[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]thiophene-3,4-diamine has a molecular weight of 494.66 g/mol, XLogP of 8.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]thiophene-3,4-diamine is sourced from PubChem (CID 145023033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).