(6-fluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone;sulfane

C15H15FN2O2S2 — CID 160579976

IUPAC(6-fluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone;sulfane
SMILESCC[C@H](O)c1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1.S
InChIInChI=1S/C15H13FN2O2S.H2S/c1-2-13(19)12-7-21-15(18-12)14(20)10-6-17-11-5-8(16)3-4-9(10)11;/h3-7,13,17,19H,2H2,1H3;1H2/t13-;/m0./s1
InChIKeyRBQPEAODWFSQJD-ZOWNYOTGSA-N
MW338.43 g/mol
LogP3.55
Rot. Bonds4

About (6-fluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone;sulfane

(6-fluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone;sulfane (PubChem CID 160579976) has the molecular formula C15H15FN2O2S2 and a molecular weight of 338.43 g/mol. Its IUPAC name is (6-fluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone;sulfane.

Molecular Properties

Compound Name(6-fluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone;sulfane
PubChem CID160579976
Molecular FormulaC15H15FN2O2S2
Molecular Weight338.43 g/mol
Exact Mass338.06
IUPAC Name(6-fluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone;sulfane
SMILESCC[C@H](O)c1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1.S
InChIInChI=1S/C15H13FN2O2S.H2S/c1-2-13(19)12-7-21-15(18-12)14(20)10-6-17-11-5-8(16)3-4-9(10)11;/h3-7,13,17,19H,2H2,1H3;1H2/t13-;/m0./s1
InChIKeyRBQPEAODWFSQJD-ZOWNYOTGSA-N
XLogP3.55
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(1S)-1-aminopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;methane
CID 161081199
(5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
CID 155231624
[4-[(1S)-1-amino-2,2,2-trifluoroethyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;sulfane
CID 165052366
(5,7-difluoro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
CID 155231612
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-[(1S)-1-amino-2,2,2-trifluoroethyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone
CID 156529012
(5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
CID 155231597
(4-ethylsulfanyl-1,3-thiazol-2-yl)-(6-fluoro-1H-indol-3-yl)methanone
CID 156529338
[5-fluoro-3-[4-[(1R)-1-hydroxypropyl]-1,3-thiazole-2-carbonyl]indol-1-yl]phosphonic acid
CID 156528839
1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl 4-(4-piperidin-1-ylpiperidin-1-yl)butanoate
CID 155213767
[6-fluoro-3-[4-[(1S)-1-hydroxypropyl]-1,3-thiazole-2-carbonyl]indol-1-yl]methyl 2-(dimethylamino)acetate
CID 155231634

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone;sulfane?
The IUPAC name of (6-fluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone;sulfane (CID 160579976) is (6-fluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone;sulfane.
What is the SMILES notation for (6-fluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone;sulfane?
The canonical SMILES for (6-fluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone;sulfane is CC[C@H](O)c1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1.S.
What is the InChIKey of (6-fluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone;sulfane?
The InChIKey is RBQPEAODWFSQJD-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H13FN2O2S.H2S/c1-2-13(19)12-7-21-15(18-12)14(20)10-6-17-11-5-8(16)3-4-9(10)11;/h3-7,13,17,19H,2H2,1H3;1H2/t13-;/m0./s1.
What are the key properties of (6-fluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone;sulfane?
(6-fluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone;sulfane has a molecular weight of 338.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone;sulfane is sourced from PubChem (CID 160579976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).