5-[3,5-bis(4-aminothiophen-2-yl)phenyl]thiophen-3-amine

C18H15N3S3 — CID 174757107

IUPAC5-[3,5-bis(4-aminothiophen-2-yl)phenyl]thiophen-3-amine
SMILESNc1csc(-c2cc(-c3cc(N)cs3)cc(-c3cc(N)cs3)c2)c1
InChIInChI=1S/C18H15N3S3/c19-13-4-16(22-7-13)10-1-11(17-5-14(20)8-23-17)3-12(2-10)18-6-15(21)9-24-18/h1-9H,19-21H2
InChIKeyRTZLNFULTZJOCL-UHFFFAOYSA-N
MW369.54 g/mol
LogP5.62
Rot. Bonds3

About 5-[3,5-bis(4-aminothiophen-2-yl)phenyl]thiophen-3-amine

5-[3,5-bis(4-aminothiophen-2-yl)phenyl]thiophen-3-amine (PubChem CID 174757107) has the molecular formula C18H15N3S3 and a molecular weight of 369.54 g/mol. Its IUPAC name is 5-[3,5-bis(4-aminothiophen-2-yl)phenyl]thiophen-3-amine.

Molecular Properties

Compound Name5-[3,5-bis(4-aminothiophen-2-yl)phenyl]thiophen-3-amine
PubChem CID174757107
Molecular FormulaC18H15N3S3
Molecular Weight369.54 g/mol
Exact Mass369.04
IUPAC Name5-[3,5-bis(4-aminothiophen-2-yl)phenyl]thiophen-3-amine
SMILESNc1csc(-c2cc(-c3cc(N)cs3)cc(-c3cc(N)cs3)c2)c1
InChIInChI=1S/C18H15N3S3/c19-13-4-16(22-7-13)10-1-11(17-5-14(20)8-23-17)3-12(2-10)18-6-15(21)9-24-18/h1-9H,19-21H2
InChIKeyRTZLNFULTZJOCL-UHFFFAOYSA-N
XLogP5.62
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.54
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(4-aminothiophen-2-yl)phenyl]thiophen-3-amine?
The IUPAC name of 5-[3,5-bis(4-aminothiophen-2-yl)phenyl]thiophen-3-amine (CID 174757107) is 5-[3,5-bis(4-aminothiophen-2-yl)phenyl]thiophen-3-amine.
What is the SMILES notation for 5-[3,5-bis(4-aminothiophen-2-yl)phenyl]thiophen-3-amine?
The canonical SMILES for 5-[3,5-bis(4-aminothiophen-2-yl)phenyl]thiophen-3-amine is Nc1csc(-c2cc(-c3cc(N)cs3)cc(-c3cc(N)cs3)c2)c1.
What is the InChIKey of 5-[3,5-bis(4-aminothiophen-2-yl)phenyl]thiophen-3-amine?
The InChIKey is RTZLNFULTZJOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S3/c19-13-4-16(22-7-13)10-1-11(17-5-14(20)8-23-17)3-12(2-10)18-6-15(21)9-24-18/h1-9H,19-21H2.
What are the key properties of 5-[3,5-bis(4-aminothiophen-2-yl)phenyl]thiophen-3-amine?
5-[3,5-bis(4-aminothiophen-2-yl)phenyl]thiophen-3-amine has a molecular weight of 369.54 g/mol, XLogP of 5.62, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(4-aminothiophen-2-yl)phenyl]thiophen-3-amine is sourced from PubChem (CID 174757107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).