4-[4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole

C18H13N3S2 — CID 2815211

IUPAC4-[4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole
SMILESCc1sc(-c2ccc(-c3csnn3)cc2)nc1-c1ccccc1
InChIInChI=1S/C18H13N3S2/c1-12-17(14-5-3-2-4-6-14)19-18(23-12)15-9-7-13(8-10-15)16-11-22-21-20-16/h2-11H,1H3
InChIKeyGIOSLRBPIPNWPT-UHFFFAOYSA-N
MW335.46 g/mol
LogP5.30
Rot. Bonds3

About 4-[4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole

4-[4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole (PubChem CID 2815211) has the molecular formula C18H13N3S2 and a molecular weight of 335.46 g/mol. Its IUPAC name is 4-[4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole.

Molecular Properties

Compound Name4-[4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole
PubChem CID2815211
Molecular FormulaC18H13N3S2
Molecular Weight335.46 g/mol
Exact Mass335.06
IUPAC Name4-[4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole
SMILESCc1sc(-c2ccc(-c3csnn3)cc2)nc1-c1ccccc1
InChIInChI=1S/C18H13N3S2/c1-12-17(14-5-3-2-4-6-14)19-18(23-12)15-9-7-13(8-10-15)16-11-22-21-20-16/h2-11H,1H3
InChIKeyGIOSLRBPIPNWPT-UHFFFAOYSA-N
XLogP5.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.46
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole?
The IUPAC name of 4-[4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole (CID 2815211) is 4-[4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole.
What is the SMILES notation for 4-[4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole?
The canonical SMILES for 4-[4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole is Cc1sc(-c2ccc(-c3csnn3)cc2)nc1-c1ccccc1.
What is the InChIKey of 4-[4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole?
The InChIKey is GIOSLRBPIPNWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3S2/c1-12-17(14-5-3-2-4-6-14)19-18(23-12)15-9-7-13(8-10-15)16-11-22-21-20-16/h2-11H,1H3.
What are the key properties of 4-[4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole?
4-[4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole has a molecular weight of 335.46 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]thiadiazole is sourced from PubChem (CID 2815211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).