5-[6-[(3-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole

C19H14FN3S3 — CID 27461242

IUPAC5-[6-[(3-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole
SMILESCc1nc(-c2cccs2)sc1-c1ccc(SCc2cccc(F)c2)nn1
InChIInChI=1S/C19H14FN3S3/c1-12-18(26-19(21-12)16-6-3-9-24-16)15-7-8-17(23-22-15)25-11-13-4-2-5-14(20)10-13/h2-10H,11H2,1H3
InChIKeySQJCXYIYHIQGCM-UHFFFAOYSA-N
MW399.54 g/mol
LogP6.07
Rot. Bonds5

About 5-[6-[(3-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole

5-[6-[(3-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole (PubChem CID 27461242) has the molecular formula C19H14FN3S3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 5-[6-[(3-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[6-[(3-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole
PubChem CID27461242
Molecular FormulaC19H14FN3S3
Molecular Weight399.54 g/mol
Exact Mass399.03
IUPAC Name5-[6-[(3-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole
SMILESCc1nc(-c2cccs2)sc1-c1ccc(SCc2cccc(F)c2)nn1
InChIInChI=1S/C19H14FN3S3/c1-12-18(26-19(21-12)16-6-3-9-24-16)15-7-8-17(23-22-15)25-11-13-4-2-5-14(20)10-13/h2-10H,11H2,1H3
InChIKeySQJCXYIYHIQGCM-UHFFFAOYSA-N
XLogP6.07
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(3-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 5-[6-[(3-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole (CID 27461242) is 5-[6-[(3-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 5-[6-[(3-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 5-[6-[(3-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole is Cc1nc(-c2cccs2)sc1-c1ccc(SCc2cccc(F)c2)nn1.
What is the InChIKey of 5-[6-[(3-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is SQJCXYIYHIQGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3S3/c1-12-18(26-19(21-12)16-6-3-9-24-16)15-7-8-17(23-22-15)25-11-13-4-2-5-14(20)10-13/h2-10H,11H2,1H3.
What are the key properties of 5-[6-[(3-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole?
5-[6-[(3-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 399.54 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(3-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 27461242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).