(4-ethylsulfanyl-1,3-thiazol-2-yl)-(6-fluoro-1H-indol-3-yl)methanone

C14H11FN2OS2 — CID 156529338

IUPAC(4-ethylsulfanyl-1,3-thiazol-2-yl)-(6-fluoro-1H-indol-3-yl)methanone
SMILESCCSc1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1
InChIInChI=1S/C14H11FN2OS2/c1-2-19-12-7-20-14(17-12)13(18)10-6-16-11-5-8(15)3-4-9(10)11/h3-7,16H,2H2,1H3
InChIKeyGKMJTHBPSNOTSF-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.11
Rot. Bonds4

About (4-ethylsulfanyl-1,3-thiazol-2-yl)-(6-fluoro-1H-indol-3-yl)methanone

(4-ethylsulfanyl-1,3-thiazol-2-yl)-(6-fluoro-1H-indol-3-yl)methanone (PubChem CID 156529338) has the molecular formula C14H11FN2OS2 and a molecular weight of 306.39 g/mol. Its IUPAC name is (4-ethylsulfanyl-1,3-thiazol-2-yl)-(6-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4-ethylsulfanyl-1,3-thiazol-2-yl)-(6-fluoro-1H-indol-3-yl)methanone
PubChem CID156529338
Molecular FormulaC14H11FN2OS2
Molecular Weight306.39 g/mol
Exact Mass306.03
IUPAC Name(4-ethylsulfanyl-1,3-thiazol-2-yl)-(6-fluoro-1H-indol-3-yl)methanone
SMILESCCSc1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1
InChIInChI=1S/C14H11FN2OS2/c1-2-19-12-7-20-14(17-12)13(18)10-6-16-11-5-8(15)3-4-9(10)11/h3-7,16H,2H2,1H3
InChIKeyGKMJTHBPSNOTSF-UHFFFAOYSA-N
XLogP4.11
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-fluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone;sulfane
CID 160579976
[4-[(1S)-1-aminopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;methane
CID 161081199
[4-[(1S)-1-amino-2,2,2-trifluoroethyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone
CID 156529012
[4-[(1S)-1-amino-2,2,2-trifluoroethyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;sulfane
CID 165052366
2-[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl]isoindole-1,3-dione
CID 156529355
[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-(dimethylamino)butanoate
CID 155213732
[4-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone
CID 155713311
(5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone
CID 155713337
(6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63187418
(5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
CID 155231624
methyl 2-(6-methoxy-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
CID 156515469
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-oxoacetate
CID 44596115

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfanyl-1,3-thiazol-2-yl)-(6-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of (4-ethylsulfanyl-1,3-thiazol-2-yl)-(6-fluoro-1H-indol-3-yl)methanone (CID 156529338) is (4-ethylsulfanyl-1,3-thiazol-2-yl)-(6-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for (4-ethylsulfanyl-1,3-thiazol-2-yl)-(6-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for (4-ethylsulfanyl-1,3-thiazol-2-yl)-(6-fluoro-1H-indol-3-yl)methanone is CCSc1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1.
What is the InChIKey of (4-ethylsulfanyl-1,3-thiazol-2-yl)-(6-fluoro-1H-indol-3-yl)methanone?
The InChIKey is GKMJTHBPSNOTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS2/c1-2-19-12-7-20-14(17-12)13(18)10-6-16-11-5-8(15)3-4-9(10)11/h3-7,16H,2H2,1H3.
What are the key properties of (4-ethylsulfanyl-1,3-thiazol-2-yl)-(6-fluoro-1H-indol-3-yl)methanone?
(4-ethylsulfanyl-1,3-thiazol-2-yl)-(6-fluoro-1H-indol-3-yl)methanone has a molecular weight of 306.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfanyl-1,3-thiazol-2-yl)-(6-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 156529338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).