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

C16H18FN3OS — CID 161081199

IUPAC[4-[(1S)-1-aminopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;methane
SMILESC.CC[C@H](N)c1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1
InChIInChI=1S/C15H14FN3OS.CH4/c1-2-11(17)13-7-21-15(19-13)14(20)10-6-18-12-5-8(16)3-4-9(10)12;/h3-7,11,18H,2,17H2,1H3;1H4/t11-;/m0./s1
InChIKeyUFXYANNUKCKBGW-MERQFXBCSA-N
MW319.41 g/mol
LogP4.04
Rot. Bonds4

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

[4-[(1S)-1-aminopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;methane (PubChem CID 161081199) has the molecular formula C16H18FN3OS and a molecular weight of 319.41 g/mol. Its IUPAC name is [4-[(1S)-1-aminopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;methane.

Molecular Properties

Compound Name[4-[(1S)-1-aminopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;methane
PubChem CID161081199
Molecular FormulaC16H18FN3OS
Molecular Weight319.41 g/mol
Exact Mass319.12
IUPAC Name[4-[(1S)-1-aminopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;methane
SMILESC.CC[C@H](N)c1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1
InChIInChI=1S/C15H14FN3OS.CH4/c1-2-11(17)13-7-21-15(19-13)14(20)10-6-18-12-5-8(16)3-4-9(10)12;/h3-7,11,18H,2,17H2,1H3;1H4/t11-;/m0./s1
InChIKeyUFXYANNUKCKBGW-MERQFXBCSA-N
XLogP4.04
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
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-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
(4-ethylsulfanyl-1,3-thiazol-2-yl)-(6-fluoro-1H-indol-3-yl)methanone
CID 156529338
[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-(dimethylamino)butanoate
CID 155213732
(5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
CID 155231624
1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl 4-(4-piperidin-1-ylpiperidin-1-yl)butanoate
CID 155213767
(5,7-difluoro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
CID 155231612
(5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
CID 155231597
[4-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone
CID 155713311
1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide
CID 160595335

Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-1-aminopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;methane?
The IUPAC name of [4-[(1S)-1-aminopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;methane (CID 161081199) is [4-[(1S)-1-aminopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;methane.
What is the SMILES notation for [4-[(1S)-1-aminopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;methane?
The canonical SMILES for [4-[(1S)-1-aminopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;methane is C.CC[C@H](N)c1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1.
What is the InChIKey of [4-[(1S)-1-aminopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;methane?
The InChIKey is UFXYANNUKCKBGW-MERQFXBCSA-N. The full InChI is InChI=1S/C15H14FN3OS.CH4/c1-2-11(17)13-7-21-15(19-13)14(20)10-6-18-12-5-8(16)3-4-9(10)12;/h3-7,11,18H,2,17H2,1H3;1H4/t11-;/m0./s1.
What are the key properties of [4-[(1S)-1-aminopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;methane?
[4-[(1S)-1-aminopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;methane has a molecular weight of 319.41 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-1-aminopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;methane is sourced from PubChem (CID 161081199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).