N-[[5-fluoro-6-[2-(1,3-thiazol-4-yl)ethyl]-1H-indol-2-yl]methyl]azetidine-1-carboxamide

C18H19FN4OS — CID 171518187

IUPACN-[[5-fluoro-6-[2-(1,3-thiazol-4-yl)ethyl]-1H-indol-2-yl]methyl]azetidine-1-carboxamide
SMILESO=C(NCc1cc2cc(F)c(CCc3cscn3)cc2[nH]1)N1CCC1
InChIInChI=1S/C18H19FN4OS/c19-16-7-13-6-15(9-20-18(24)23-4-1-5-23)22-17(13)8-12(16)2-3-14-10-25-11-21-14/h6-8,10-11,22H,1-5,9H2,(H,20,24)
InChIKeyIAKYOSGMDIUFDF-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.46
Rot. Bonds5

About N-[[5-fluoro-6-[2-(1,3-thiazol-4-yl)ethyl]-1H-indol-2-yl]methyl]azetidine-1-carboxamide

N-[[5-fluoro-6-[2-(1,3-thiazol-4-yl)ethyl]-1H-indol-2-yl]methyl]azetidine-1-carboxamide (PubChem CID 171518187) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[[5-fluoro-6-[2-(1,3-thiazol-4-yl)ethyl]-1H-indol-2-yl]methyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[[5-fluoro-6-[2-(1,3-thiazol-4-yl)ethyl]-1H-indol-2-yl]methyl]azetidine-1-carboxamide
PubChem CID171518187
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC NameN-[[5-fluoro-6-[2-(1,3-thiazol-4-yl)ethyl]-1H-indol-2-yl]methyl]azetidine-1-carboxamide
SMILESO=C(NCc1cc2cc(F)c(CCc3cscn3)cc2[nH]1)N1CCC1
InChIInChI=1S/C18H19FN4OS/c19-16-7-13-6-15(9-20-18(24)23-4-1-5-23)22-17(13)8-12(16)2-3-14-10-25-11-21-14/h6-8,10-11,22H,1-5,9H2,(H,20,24)
InChIKeyIAKYOSGMDIUFDF-UHFFFAOYSA-N
XLogP3.46
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide
CID 171518216
N-[[5-cyclopropyl-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide
CID 171518121
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 171519810
N-[[5-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 171518676
2-(azetidin-1-yl)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide
CID 171519120
(2S)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-(hydroxymethyl)azetidine-1-carboxamide
CID 171519776
N-[[5-chloro-6-(1,3-thiazol-4-ylmethylamino)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518941
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 171731958
N-[(5-fluoro-1H-indol-2-yl)methyl]-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 121495859
cis-(1S,2S)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-fluorocyclopropane-1-carboxamide
CID 171518553
(2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide
CID 95179186
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane
CID 171519771

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-6-[2-(1,3-thiazol-4-yl)ethyl]-1H-indol-2-yl]methyl]azetidine-1-carboxamide?
The IUPAC name of N-[[5-fluoro-6-[2-(1,3-thiazol-4-yl)ethyl]-1H-indol-2-yl]methyl]azetidine-1-carboxamide (CID 171518187) is N-[[5-fluoro-6-[2-(1,3-thiazol-4-yl)ethyl]-1H-indol-2-yl]methyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[[5-fluoro-6-[2-(1,3-thiazol-4-yl)ethyl]-1H-indol-2-yl]methyl]azetidine-1-carboxamide?
The canonical SMILES for N-[[5-fluoro-6-[2-(1,3-thiazol-4-yl)ethyl]-1H-indol-2-yl]methyl]azetidine-1-carboxamide is O=C(NCc1cc2cc(F)c(CCc3cscn3)cc2[nH]1)N1CCC1.
What is the InChIKey of N-[[5-fluoro-6-[2-(1,3-thiazol-4-yl)ethyl]-1H-indol-2-yl]methyl]azetidine-1-carboxamide?
The InChIKey is IAKYOSGMDIUFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c19-16-7-13-6-15(9-20-18(24)23-4-1-5-23)22-17(13)8-12(16)2-3-14-10-25-11-21-14/h6-8,10-11,22H,1-5,9H2,(H,20,24).
What are the key properties of N-[[5-fluoro-6-[2-(1,3-thiazol-4-yl)ethyl]-1H-indol-2-yl]methyl]azetidine-1-carboxamide?
N-[[5-fluoro-6-[2-(1,3-thiazol-4-yl)ethyl]-1H-indol-2-yl]methyl]azetidine-1-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-6-[2-(1,3-thiazol-4-yl)ethyl]-1H-indol-2-yl]methyl]azetidine-1-carboxamide is sourced from PubChem (CID 171518187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).