1-[2-(4-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one

C15H11FN2O2S — CID 148844720

IUPAC1-[2-(4-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one
SMILESCCC(=O)c1csc(C(=O)c2c[nH]c3cccc(F)c23)n1
InChIInChI=1S/C15H11FN2O2S/c1-2-12(19)11-7-21-15(18-11)14(20)8-6-17-10-5-3-4-9(16)13(8)10/h3-7,17H,2H2,1H3
InChIKeyOWFVQDUSCXOLRF-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.59
Rot. Bonds4

About 1-[2-(4-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one

1-[2-(4-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one (PubChem CID 148844720) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[2-(4-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(4-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one
PubChem CID148844720
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name1-[2-(4-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one
SMILESCCC(=O)c1csc(C(=O)c2c[nH]c3cccc(F)c23)n1
InChIInChI=1S/C15H11FN2O2S/c1-2-12(19)11-7-21-15(18-11)14(20)8-6-17-10-5-3-4-9(16)13(8)10/h3-7,17H,2H2,1H3
InChIKeyOWFVQDUSCXOLRF-UHFFFAOYSA-N
XLogP3.59
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one?
The IUPAC name of 1-[2-(4-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one (CID 148844720) is 1-[2-(4-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one.
What is the SMILES notation for 1-[2-(4-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one?
The canonical SMILES for 1-[2-(4-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one is CCC(=O)c1csc(C(=O)c2c[nH]c3cccc(F)c23)n1.
What is the InChIKey of 1-[2-(4-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one?
The InChIKey is OWFVQDUSCXOLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c1-2-12(19)11-7-21-15(18-11)14(20)8-6-17-10-5-3-4-9(16)13(8)10/h3-7,17H,2H2,1H3.
What are the key properties of 1-[2-(4-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one?
1-[2-(4-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one has a molecular weight of 302.33 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one is sourced from PubChem (CID 148844720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).