methyl 2-(5-fluoro-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate

C14H9FN2O3S — CID 139497394

IUPACmethyl 2-(5-fluoro-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(C(=O)c2c[nH]c3ccc(F)cc23)n1
InChIInChI=1S/C14H9FN2O3S/c1-20-14(19)11-6-21-13(17-11)12(18)9-5-16-10-3-2-7(15)4-8(9)10/h2-6,16H,1H3
InChIKeyHXADJESYTZJDIP-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.78
Rot. Bonds3

About methyl 2-(5-fluoro-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate

methyl 2-(5-fluoro-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate (PubChem CID 139497394) has the molecular formula C14H9FN2O3S and a molecular weight of 304.30 g/mol. Its IUPAC name is methyl 2-(5-fluoro-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-fluoro-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
PubChem CID139497394
Molecular FormulaC14H9FN2O3S
Molecular Weight304.30 g/mol
Exact Mass304.03
IUPAC Namemethyl 2-(5-fluoro-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(C(=O)c2c[nH]c3ccc(F)cc23)n1
InChIInChI=1S/C14H9FN2O3S/c1-20-14(19)11-6-21-13(17-11)12(18)9-5-16-10-3-2-7(15)4-8(9)10/h2-6,16H,1H3
InChIKeyHXADJESYTZJDIP-UHFFFAOYSA-N
XLogP2.78
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-fluoro-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(5-fluoro-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate (CID 139497394) is methyl 2-(5-fluoro-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(5-fluoro-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(5-fluoro-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(C(=O)c2c[nH]c3ccc(F)cc23)n1.
What is the InChIKey of methyl 2-(5-fluoro-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate?
The InChIKey is HXADJESYTZJDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3S/c1-20-14(19)11-6-21-13(17-11)12(18)9-5-16-10-3-2-7(15)4-8(9)10/h2-6,16H,1H3.
What are the key properties of methyl 2-(5-fluoro-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate?
methyl 2-(5-fluoro-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate has a molecular weight of 304.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-fluoro-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 139497394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).