methyl 2-(1-fluorosulfanylindole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate

C15H11FN2O3S2 — CID 156795844

IUPACmethyl 2-(1-fluorosulfanylindole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C(=O)c2cn(SF)c3ccccc23)sc1C
InChIInChI=1S/C15H11FN2O3S2/c1-8-12(15(20)21-2)17-14(22-8)13(19)10-7-18(23-16)11-6-4-3-5-9(10)11/h3-7H,1-2H3
InChIKeyVRWGGLXNMCJNTC-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.80
Rot. Bonds4

About methyl 2-(1-fluorosulfanylindole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate

methyl 2-(1-fluorosulfanylindole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 156795844) has the molecular formula C15H11FN2O3S2 and a molecular weight of 350.40 g/mol. Its IUPAC name is methyl 2-(1-fluorosulfanylindole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-fluorosulfanylindole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID156795844
Molecular FormulaC15H11FN2O3S2
Molecular Weight350.40 g/mol
Exact Mass350.02
IUPAC Namemethyl 2-(1-fluorosulfanylindole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C(=O)c2cn(SF)c3ccccc23)sc1C
InChIInChI=1S/C15H11FN2O3S2/c1-8-12(15(20)21-2)17-14(22-8)13(19)10-7-18(23-16)11-6-4-3-5-9(10)11/h3-7H,1-2H3
InChIKeyVRWGGLXNMCJNTC-UHFFFAOYSA-N
XLogP3.80
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-fluorosulfanylindole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(1-fluorosulfanylindole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate (CID 156795844) is methyl 2-(1-fluorosulfanylindole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(1-fluorosulfanylindole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(1-fluorosulfanylindole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C(=O)c2cn(SF)c3ccccc23)sc1C.
What is the InChIKey of methyl 2-(1-fluorosulfanylindole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is VRWGGLXNMCJNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3S2/c1-8-12(15(20)21-2)17-14(22-8)13(19)10-7-18(23-16)11-6-4-3-5-9(10)11/h3-7H,1-2H3.
What are the key properties of methyl 2-(1-fluorosulfanylindole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-(1-fluorosulfanylindole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 350.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-fluorosulfanylindole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 156795844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).