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

C15H10FN3S3 — CID 130317913

IUPAC6-fluoro-4,7-bis(5-methylthiophen-2-yl)thiadiazolo[5,4-c]pyridine
SMILESCc1ccc(-c2c(F)nc(-c3ccc(C)s3)c3snnc23)s1
InChIInChI=1S/C15H10FN3S3/c1-7-3-5-9(20-7)11-13-14(22-19-18-13)12(17-15(11)16)10-6-4-8(2)21-10/h3-6H,1-2H3
InChIKeyXMPCJOALJHAEMM-UHFFFAOYSA-N
MW347.47 g/mol
LogP5.30
Rot. Bonds2

About 6-fluoro-4,7-bis(5-methylthiophen-2-yl)thiadiazolo[5,4-c]pyridine

6-fluoro-4,7-bis(5-methylthiophen-2-yl)thiadiazolo[5,4-c]pyridine (PubChem CID 130317913) has the molecular formula C15H10FN3S3 and a molecular weight of 347.47 g/mol. Its IUPAC name is 6-fluoro-4,7-bis(5-methylthiophen-2-yl)thiadiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name6-fluoro-4,7-bis(5-methylthiophen-2-yl)thiadiazolo[5,4-c]pyridine
PubChem CID130317913
Molecular FormulaC15H10FN3S3
Molecular Weight347.47 g/mol
Exact Mass347.00
IUPAC Name6-fluoro-4,7-bis(5-methylthiophen-2-yl)thiadiazolo[5,4-c]pyridine
SMILESCc1ccc(-c2c(F)nc(-c3ccc(C)s3)c3snnc23)s1
InChIInChI=1S/C15H10FN3S3/c1-7-3-5-9(20-7)11-13-14(22-19-18-13)12(17-15(11)16)10-6-4-8(2)21-10/h3-6H,1-2H3
InChIKeyXMPCJOALJHAEMM-UHFFFAOYSA-N
XLogP5.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.47
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7,8-Dipropyl-11-(trifluoromethyl)-3-thia-9,10-diazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene
CID 139093194
6-Fluoro-4,7-bis(5-methylthiophen-2-yl)thiadiazolo[4,5-c]pyridine
CID 130317909
3,6-Bis(2-thienyl)-1,2,7-benzothiadiazole
CID 129826878
4,7-Bis(5-methylthiophen-2-yl)thiadiazolo[5,4-c]pyridine
CID 130317903
4,7-Bis(5-methylthiophen-2-yl)thiadiazolo[4,5-c]pyridine
CID 130317906
4-Hexyl-7-(5-thiophen-2-ylthiophen-2-yl)thiadiazolo[5,4-c]pyridine
CID 130317964
7-[5-(5-Bromothiophen-2-yl)thiophen-2-yl]-4-hexylthiadiazolo[5,4-c]pyridine
CID 130317966
4,7-Dithiophen-2-ylthiadiazolo[5,4-c]pyridine
CID 130320830
5-(1-Methylpyrazol-4-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridine
CID 176160802
4-Methyl-6-phenyl-2-thiophen-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 11833804
7-Methyl-4,5-dithiophen-2-ylthieno[2,3-c]pyridine
CID 44606945

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4,7-bis(5-methylthiophen-2-yl)thiadiazolo[5,4-c]pyridine?
The IUPAC name of 6-fluoro-4,7-bis(5-methylthiophen-2-yl)thiadiazolo[5,4-c]pyridine (CID 130317913) is 6-fluoro-4,7-bis(5-methylthiophen-2-yl)thiadiazolo[5,4-c]pyridine.
What is the SMILES notation for 6-fluoro-4,7-bis(5-methylthiophen-2-yl)thiadiazolo[5,4-c]pyridine?
The canonical SMILES for 6-fluoro-4,7-bis(5-methylthiophen-2-yl)thiadiazolo[5,4-c]pyridine is Cc1ccc(-c2c(F)nc(-c3ccc(C)s3)c3snnc23)s1.
What is the InChIKey of 6-fluoro-4,7-bis(5-methylthiophen-2-yl)thiadiazolo[5,4-c]pyridine?
The InChIKey is XMPCJOALJHAEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3S3/c1-7-3-5-9(20-7)11-13-14(22-19-18-13)12(17-15(11)16)10-6-4-8(2)21-10/h3-6H,1-2H3.
What are the key properties of 6-fluoro-4,7-bis(5-methylthiophen-2-yl)thiadiazolo[5,4-c]pyridine?
6-fluoro-4,7-bis(5-methylthiophen-2-yl)thiadiazolo[5,4-c]pyridine has a molecular weight of 347.47 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4,7-bis(5-methylthiophen-2-yl)thiadiazolo[5,4-c]pyridine is sourced from PubChem (CID 130317913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).