4,7-bis(5-methylthiophen-2-yl)thiadiazolo[4,5-c]pyridine

C15H11N3S3 — CID 130317906

IUPAC4,7-bis(5-methylthiophen-2-yl)thiadiazolo[4,5-c]pyridine
SMILESCc1ccc(-c2ncc(-c3ccc(C)s3)c3snnc23)s1
InChIInChI=1S/C15H11N3S3/c1-8-3-5-11(19-8)10-7-16-13(12-6-4-9(2)20-12)14-15(10)21-18-17-14/h3-7H,1-2H3
InChIKeyPKDCQQDJOZNYBD-UHFFFAOYSA-N
MW329.48 g/mol
LogP5.16
Rot. Bonds2

About 4,7-bis(5-methylthiophen-2-yl)thiadiazolo[4,5-c]pyridine

4,7-bis(5-methylthiophen-2-yl)thiadiazolo[4,5-c]pyridine (PubChem CID 130317906) has the molecular formula C15H11N3S3 and a molecular weight of 329.48 g/mol. Its IUPAC name is 4,7-bis(5-methylthiophen-2-yl)thiadiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4,7-bis(5-methylthiophen-2-yl)thiadiazolo[4,5-c]pyridine
PubChem CID130317906
Molecular FormulaC15H11N3S3
Molecular Weight329.48 g/mol
Exact Mass329.01
IUPAC Name4,7-bis(5-methylthiophen-2-yl)thiadiazolo[4,5-c]pyridine
SMILESCc1ccc(-c2ncc(-c3ccc(C)s3)c3snnc23)s1
InChIInChI=1S/C15H11N3S3/c1-8-3-5-11(19-8)10-7-16-13(12-6-4-9(2)20-12)14-15(10)21-18-17-14/h3-7H,1-2H3
InChIKeyPKDCQQDJOZNYBD-UHFFFAOYSA-N
XLogP5.16
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.48
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-(5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl)benzo[d]thiazole
CID 45484850
6-Thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridin-3-amine
CID 90467784
3-(4-Methylpiperazin-1-yl)-6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine
CID 117807197
5-(1-Methylpyrazol-3-yl)-3-pyridin-4-ylthieno[3,2-b]pyridine
CID 171934756
5,7-Di-2-thienylthieno[3,4-b]pyrazine
CID 67968415
6-(4-Methylthiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine
CID 155389064
6-(5-Methylthiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine
CID 155389311
Dithieno[3,2-b:2,3-d]pyridine
CID 901700
1-Hydroxy-2-thiophen-2-ylpyrrolo[2,3-c]pyridine
CID 11458586
4,7-Bis(4-(2-ethylhexyl)thiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 89503640
4,7-Bis(5-bromo-4-(2-ethylhexyl)thiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 89503785
4,7-Dithiophen-2-yl-[1,2]thiazolo[4,5-c]pyridine
CID 91008808

Frequently Asked Questions

What is the IUPAC name of 4,7-bis(5-methylthiophen-2-yl)thiadiazolo[4,5-c]pyridine?
The IUPAC name of 4,7-bis(5-methylthiophen-2-yl)thiadiazolo[4,5-c]pyridine (CID 130317906) is 4,7-bis(5-methylthiophen-2-yl)thiadiazolo[4,5-c]pyridine.
What is the SMILES notation for 4,7-bis(5-methylthiophen-2-yl)thiadiazolo[4,5-c]pyridine?
The canonical SMILES for 4,7-bis(5-methylthiophen-2-yl)thiadiazolo[4,5-c]pyridine is Cc1ccc(-c2ncc(-c3ccc(C)s3)c3snnc23)s1.
What is the InChIKey of 4,7-bis(5-methylthiophen-2-yl)thiadiazolo[4,5-c]pyridine?
The InChIKey is PKDCQQDJOZNYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S3/c1-8-3-5-11(19-8)10-7-16-13(12-6-4-9(2)20-12)14-15(10)21-18-17-14/h3-7H,1-2H3.
What are the key properties of 4,7-bis(5-methylthiophen-2-yl)thiadiazolo[4,5-c]pyridine?
4,7-bis(5-methylthiophen-2-yl)thiadiazolo[4,5-c]pyridine has a molecular weight of 329.48 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(5-methylthiophen-2-yl)thiadiazolo[4,5-c]pyridine is sourced from PubChem (CID 130317906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).