(5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone

C15H12F2N2OS — CID 155713337

IUPAC(5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone
SMILESCCCc1csc(C(=O)c2c[nH]c3cc(F)c(F)cc23)n1
InChIInChI=1S/C15H12F2N2OS/c1-2-3-8-7-21-15(19-8)14(20)10-6-18-13-5-12(17)11(16)4-9(10)13/h4-7,18H,2-3H2,1H3
InChIKeyIOBSIVFCIQAPFK-UHFFFAOYSA-N
MW306.34 g/mol
LogP4.09
Rot. Bonds4

About (5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone

(5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone (PubChem CID 155713337) has the molecular formula C15H12F2N2OS and a molecular weight of 306.34 g/mol. Its IUPAC name is (5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone
PubChem CID155713337
Molecular FormulaC15H12F2N2OS
Molecular Weight306.34 g/mol
Exact Mass306.06
IUPAC Name(5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone
SMILESCCCc1csc(C(=O)c2c[nH]c3cc(F)c(F)cc23)n1
InChIInChI=1S/C15H12F2N2OS/c1-2-3-8-7-21-15(19-8)14(20)10-6-18-13-5-12(17)11(16)4-9(10)13/h4-7,18H,2-3H2,1H3
InChIKeyIOBSIVFCIQAPFK-UHFFFAOYSA-N
XLogP4.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
1H-Indole-3-carboxylic acid (3-methyl-thiophen-2-ylmethylene)-hydrazide
CID 6894174
(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

Frequently Asked Questions

What is the IUPAC name of (5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone?
The IUPAC name of (5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone (CID 155713337) is (5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for (5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone is CCCc1csc(C(=O)c2c[nH]c3cc(F)c(F)cc23)n1.
What is the InChIKey of (5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone?
The InChIKey is IOBSIVFCIQAPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2OS/c1-2-3-8-7-21-15(19-8)14(20)10-6-18-13-5-12(17)11(16)4-9(10)13/h4-7,18H,2-3H2,1H3.
What are the key properties of (5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone?
(5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone has a molecular weight of 306.34 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 155713337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).