1-[2-(5,6-difluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one

C15H10F2N2O2S — CID 149128481

IUPAC1-[2-(5,6-difluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one
SMILESCCC(=O)c1csc(C(=O)c2c[nH]c3cc(F)c(F)cc23)n1
InChIInChI=1S/C15H10F2N2O2S/c1-2-13(20)12-6-22-15(19-12)14(21)8-5-18-11-4-10(17)9(16)3-7(8)11/h3-6,18H,2H2,1H3
InChIKeyRBSMSQMCQRKYSU-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.73
Rot. Bonds4

About 1-[2-(5,6-difluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one

1-[2-(5,6-difluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one (PubChem CID 149128481) has the molecular formula C15H10F2N2O2S and a molecular weight of 320.32 g/mol. Its IUPAC name is 1-[2-(5,6-difluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(5,6-difluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one
PubChem CID149128481
Molecular FormulaC15H10F2N2O2S
Molecular Weight320.32 g/mol
Exact Mass320.04
IUPAC Name1-[2-(5,6-difluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one
SMILESCCC(=O)c1csc(C(=O)c2c[nH]c3cc(F)c(F)cc23)n1
InChIInChI=1S/C15H10F2N2O2S/c1-2-13(20)12-6-22-15(19-12)14(21)8-5-18-11-4-10(17)9(16)3-7(8)11/h3-6,18H,2H2,1H3
InChIKeyRBSMSQMCQRKYSU-UHFFFAOYSA-N
XLogP3.73
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester
CID 4668801
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-thiazol-2-yl-1H-indol-3-yl)ethane-1,2-dione
CID 507810
1-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylsulfanyl)ethanone
CID 753522
2-(1H-indol-3-yl)-2-oxo-N-(2-thiazolyl)acetamide
CID 2174681
Indothiazinone
CID 69252541
1-(4-fluoro-1H-indol-3-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 45486592
1-(4-fluoro-1H-indol-3-yl)-2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 45486615
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(4-methyl-1,3-thiazol-2-yl)-1H-indol-3-yl]ethane-1,2-dione
CID 168268899
(1-(2-(4-Methylthiazol-5-yl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11660635
ITE-CONHMe
CID 118656024
Bacillamide C
CID 24178996
2-{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)carbonyl]-1H-indol-1-yl}acetic acid
CID 11292212

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6-difluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one?
The IUPAC name of 1-[2-(5,6-difluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one (CID 149128481) is 1-[2-(5,6-difluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one.
What is the SMILES notation for 1-[2-(5,6-difluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one?
The canonical SMILES for 1-[2-(5,6-difluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one is CCC(=O)c1csc(C(=O)c2c[nH]c3cc(F)c(F)cc23)n1.
What is the InChIKey of 1-[2-(5,6-difluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one?
The InChIKey is RBSMSQMCQRKYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2S/c1-2-13(20)12-6-22-15(19-12)14(21)8-5-18-11-4-10(17)9(16)3-7(8)11/h3-6,18H,2H2,1H3.
What are the key properties of 1-[2-(5,6-difluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one?
1-[2-(5,6-difluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one has a molecular weight of 320.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6-difluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one is sourced from PubChem (CID 149128481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).