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

C16H13ClFN3S2 — CID 7222638

IUPAC5-[6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2ccc(SCc3c(F)cccc3Cl)nn2)s1
InChIInChI=1S/C16H13ClFN3S2/c1-9-16(23-10(2)19-9)14-6-7-15(21-20-14)22-8-11-12(17)4-3-5-13(11)18/h3-7H,8H2,1-2H3
InChIKeyPHARPMOZYFNUOJ-UHFFFAOYSA-N
MW365.89 g/mol
LogP5.30
Rot. Bonds4

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

5-[6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole (PubChem CID 7222638) has the molecular formula C16H13ClFN3S2 and a molecular weight of 365.89 g/mol. Its IUPAC name is 5-[6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole
PubChem CID7222638
Molecular FormulaC16H13ClFN3S2
Molecular Weight365.89 g/mol
Exact Mass365.02
IUPAC Name5-[6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2ccc(SCc3c(F)cccc3Cl)nn2)s1
InChIInChI=1S/C16H13ClFN3S2/c1-9-16(23-10(2)19-9)14-6-7-15(21-20-14)22-8-11-12(17)4-3-5-13(11)18/h3-7H,8H2,1-2H3
InChIKeyPHARPMOZYFNUOJ-UHFFFAOYSA-N
XLogP5.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.89
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole (CID 7222638) is 5-[6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(-c2ccc(SCc3c(F)cccc3Cl)nn2)s1.
What is the InChIKey of 5-[6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is PHARPMOZYFNUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3S2/c1-9-16(23-10(2)19-9)14-6-7-15(21-20-14)22-8-11-12(17)4-3-5-13(11)18/h3-7H,8H2,1-2H3.
What are the key properties of 5-[6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole?
5-[6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 365.89 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 7222638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).