4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole

C17H11N3S2 — CID 2815209

IUPAC4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole
SMILESc1ccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)cc1
InChIInChI=1S/C17H11N3S2/c1-2-4-12(5-3-1)15-10-21-17(18-15)14-8-6-13(7-9-14)16-11-22-20-19-16/h1-11H
InChIKeyUEBBZHKRNBPNRW-UHFFFAOYSA-N
MW321.43 g/mol
LogP5.00
Rot. Bonds3

About 4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole

4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole (PubChem CID 2815209) has the molecular formula C17H11N3S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole.

Molecular Properties

Compound Name4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole
PubChem CID2815209
Molecular FormulaC17H11N3S2
Molecular Weight321.43 g/mol
Exact Mass321.04
IUPAC Name4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole
SMILESc1ccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)cc1
InChIInChI=1S/C17H11N3S2/c1-2-4-12(5-3-1)15-10-21-17(18-15)14-8-6-13(7-9-14)16-11-22-20-19-16/h1-11H
InChIKeyUEBBZHKRNBPNRW-UHFFFAOYSA-N
XLogP5.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole?
The IUPAC name of 4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole (CID 2815209) is 4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole.
What is the SMILES notation for 4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole?
The canonical SMILES for 4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole is c1ccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)cc1.
What is the InChIKey of 4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole?
The InChIKey is UEBBZHKRNBPNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3S2/c1-2-4-12(5-3-1)15-10-21-17(18-15)14-8-6-13(7-9-14)16-11-22-20-19-16/h1-11H.
What are the key properties of 4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole?
4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole has a molecular weight of 321.43 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole is sourced from PubChem (CID 2815209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).