2-(7-fluoro-3-propan-2-ylindazol-1-yl)-5-methyl-1,3-thiazole

C14H14FN3S — CID 71113014

IUPAC2-(7-fluoro-3-propan-2-ylindazol-1-yl)-5-methyl-1,3-thiazole
SMILESCc1cnc(-n2nc(C(C)C)c3cccc(F)c32)s1
InChIInChI=1S/C14H14FN3S/c1-8(2)12-10-5-4-6-11(15)13(10)18(17-12)14-16-7-9(3)19-14/h4-8H,1-3H3
InChIKeyGJDBHIXQVJYTMM-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.05
Rot. Bonds2

About 2-(7-fluoro-3-propan-2-ylindazol-1-yl)-5-methyl-1,3-thiazole

2-(7-fluoro-3-propan-2-ylindazol-1-yl)-5-methyl-1,3-thiazole (PubChem CID 71113014) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(7-fluoro-3-propan-2-ylindazol-1-yl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(7-fluoro-3-propan-2-ylindazol-1-yl)-5-methyl-1,3-thiazole
PubChem CID71113014
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Name2-(7-fluoro-3-propan-2-ylindazol-1-yl)-5-methyl-1,3-thiazole
SMILESCc1cnc(-n2nc(C(C)C)c3cccc(F)c32)s1
InChIInChI=1S/C14H14FN3S/c1-8(2)12-10-5-4-6-11(15)13(10)18(17-12)14-16-7-9(3)19-14/h4-8H,1-3H3
InChIKeyGJDBHIXQVJYTMM-UHFFFAOYSA-N
XLogP4.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-3-propan-2-ylindazol-1-yl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(7-fluoro-3-propan-2-ylindazol-1-yl)-5-methyl-1,3-thiazole (CID 71113014) is 2-(7-fluoro-3-propan-2-ylindazol-1-yl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(7-fluoro-3-propan-2-ylindazol-1-yl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(7-fluoro-3-propan-2-ylindazol-1-yl)-5-methyl-1,3-thiazole is Cc1cnc(-n2nc(C(C)C)c3cccc(F)c32)s1.
What is the InChIKey of 2-(7-fluoro-3-propan-2-ylindazol-1-yl)-5-methyl-1,3-thiazole?
The InChIKey is GJDBHIXQVJYTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S/c1-8(2)12-10-5-4-6-11(15)13(10)18(17-12)14-16-7-9(3)19-14/h4-8H,1-3H3.
What are the key properties of 2-(7-fluoro-3-propan-2-ylindazol-1-yl)-5-methyl-1,3-thiazole?
2-(7-fluoro-3-propan-2-ylindazol-1-yl)-5-methyl-1,3-thiazole has a molecular weight of 275.35 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-3-propan-2-ylindazol-1-yl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 71113014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).