5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole

C11H7ClFN3S2 — CID 175750890

IUPAC5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole
SMILESCSc1c(F)c(Cl)c(-c2cncs2)c2cn[nH]c12
InChIInChI=1S/C11H7ClFN3S2/c1-17-11-9(13)8(12)7(6-3-14-4-18-6)5-2-15-16-10(5)11/h2-4H,1H3,(H,15,16)
InChIKeyDVIARAAUVRPQTI-UHFFFAOYSA-N
MW299.78 g/mol
LogP4.20
Rot. Bonds2

About 5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole

5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole (PubChem CID 175750890) has the molecular formula C11H7ClFN3S2 and a molecular weight of 299.78 g/mol. Its IUPAC name is 5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole
PubChem CID175750890
Molecular FormulaC11H7ClFN3S2
Molecular Weight299.78 g/mol
Exact Mass298.98
IUPAC Name5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole
SMILESCSc1c(F)c(Cl)c(-c2cncs2)c2cn[nH]c12
InChIInChI=1S/C11H7ClFN3S2/c1-17-11-9(13)8(12)7(6-3-14-4-18-6)5-2-15-16-10(5)11/h2-4H,1H3,(H,15,16)
InChIKeyDVIARAAUVRPQTI-UHFFFAOYSA-N
XLogP4.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole?
The IUPAC name of 5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole (CID 175750890) is 5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole?
The canonical SMILES for 5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole is CSc1c(F)c(Cl)c(-c2cncs2)c2cn[nH]c12.
What is the InChIKey of 5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole?
The InChIKey is DVIARAAUVRPQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3S2/c1-17-11-9(13)8(12)7(6-3-14-4-18-6)5-2-15-16-10(5)11/h2-4H,1H3,(H,15,16).
What are the key properties of 5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole?
5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole has a molecular weight of 299.78 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 175750890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).