5-[8-(4-amino-5-methylthiophen-2-yl)-6-methyl-2-[(E)-prop-1-enyl]thieno[2,3-f][1]benzothiol-4-yl]-3-methylthiophen-2-amine

C24H22N2S4 — CID 166663266

IUPAC5-[8-(4-amino-5-methylthiophen-2-yl)-6-methyl-2-[(E)-prop-1-enyl]thieno[2,3-f][1]benzothiol-4-yl]-3-methylthiophen-2-amine
SMILESC/C=C/c1cc2c(-c3cc(C)c(N)s3)c3sc(C)cc3c(-c3cc(N)c(C)s3)c2s1
InChIInChI=1S/C24H22N2S4/c1-5-6-14-9-16-21(18-7-11(2)24(26)30-18)22-15(8-12(3)27-22)20(23(16)29-14)19-10-17(25)13(4)28-19/h5-10H,25-26H2,1-4H3/b6-5+
InChIKeyOLHXFWYIHHHHGB-AATRIKPKSA-N
MW466.72 g/mol
LogP8.70
Rot. Bonds3

About 5-[8-(4-amino-5-methylthiophen-2-yl)-6-methyl-2-[(E)-prop-1-enyl]thieno[2,3-f][1]benzothiol-4-yl]-3-methylthiophen-2-amine

5-[8-(4-amino-5-methylthiophen-2-yl)-6-methyl-2-[(E)-prop-1-enyl]thieno[2,3-f][1]benzothiol-4-yl]-3-methylthiophen-2-amine (PubChem CID 166663266) has the molecular formula C24H22N2S4 and a molecular weight of 466.72 g/mol. Its IUPAC name is 5-[8-(4-amino-5-methylthiophen-2-yl)-6-methyl-2-[(E)-prop-1-enyl]thieno[2,3-f][1]benzothiol-4-yl]-3-methylthiophen-2-amine.

Molecular Properties

Compound Name5-[8-(4-amino-5-methylthiophen-2-yl)-6-methyl-2-[(E)-prop-1-enyl]thieno[2,3-f][1]benzothiol-4-yl]-3-methylthiophen-2-amine
PubChem CID166663266
Molecular FormulaC24H22N2S4
Molecular Weight466.72 g/mol
Exact Mass466.07
IUPAC Name5-[8-(4-amino-5-methylthiophen-2-yl)-6-methyl-2-[(E)-prop-1-enyl]thieno[2,3-f][1]benzothiol-4-yl]-3-methylthiophen-2-amine
SMILESC/C=C/c1cc2c(-c3cc(C)c(N)s3)c3sc(C)cc3c(-c3cc(N)c(C)s3)c2s1
InChIInChI=1S/C24H22N2S4/c1-5-6-14-9-16-21(18-7-11(2)24(26)30-18)22-15(8-12(3)27-22)20(23(16)29-14)19-10-17(25)13(4)28-19/h5-10H,25-26H2,1-4H3/b6-5+
InChIKeyOLHXFWYIHHHHGB-AATRIKPKSA-N
XLogP8.70
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.72
LogP ≤ 58.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[8-(4-amino-5-methylthiophen-2-yl)-6-methyl-2-[(E)-prop-1-enyl]thieno[2,3-f][1]benzothiol-4-yl]-3-methylthiophen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(4-amino-5-methylthiophen-2-yl)-6-methyl-2-[(E)-prop-1-enyl]thieno[2,3-f][1]benzothiol-4-yl]-3-methylthiophen-2-amine?
The IUPAC name of 5-[8-(4-amino-5-methylthiophen-2-yl)-6-methyl-2-[(E)-prop-1-enyl]thieno[2,3-f][1]benzothiol-4-yl]-3-methylthiophen-2-amine (CID 166663266) is 5-[8-(4-amino-5-methylthiophen-2-yl)-6-methyl-2-[(E)-prop-1-enyl]thieno[2,3-f][1]benzothiol-4-yl]-3-methylthiophen-2-amine.
What is the SMILES notation for 5-[8-(4-amino-5-methylthiophen-2-yl)-6-methyl-2-[(E)-prop-1-enyl]thieno[2,3-f][1]benzothiol-4-yl]-3-methylthiophen-2-amine?
The canonical SMILES for 5-[8-(4-amino-5-methylthiophen-2-yl)-6-methyl-2-[(E)-prop-1-enyl]thieno[2,3-f][1]benzothiol-4-yl]-3-methylthiophen-2-amine is C/C=C/c1cc2c(-c3cc(C)c(N)s3)c3sc(C)cc3c(-c3cc(N)c(C)s3)c2s1.
What is the InChIKey of 5-[8-(4-amino-5-methylthiophen-2-yl)-6-methyl-2-[(E)-prop-1-enyl]thieno[2,3-f][1]benzothiol-4-yl]-3-methylthiophen-2-amine?
The InChIKey is OLHXFWYIHHHHGB-AATRIKPKSA-N. The full InChI is InChI=1S/C24H22N2S4/c1-5-6-14-9-16-21(18-7-11(2)24(26)30-18)22-15(8-12(3)27-22)20(23(16)29-14)19-10-17(25)13(4)28-19/h5-10H,25-26H2,1-4H3/b6-5+.
What are the key properties of 5-[8-(4-amino-5-methylthiophen-2-yl)-6-methyl-2-[(E)-prop-1-enyl]thieno[2,3-f][1]benzothiol-4-yl]-3-methylthiophen-2-amine?
5-[8-(4-amino-5-methylthiophen-2-yl)-6-methyl-2-[(E)-prop-1-enyl]thieno[2,3-f][1]benzothiol-4-yl]-3-methylthiophen-2-amine has a molecular weight of 466.72 g/mol, XLogP of 8.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(4-amino-5-methylthiophen-2-yl)-6-methyl-2-[(E)-prop-1-enyl]thieno[2,3-f][1]benzothiol-4-yl]-3-methylthiophen-2-amine is sourced from PubChem (CID 166663266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).