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

C20H22N4O2S — CID 171518121

IUPACN-[[5-cyclopropyl-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide
SMILESO=C(NCc1cc2cc(C3CC3)c(OCc3cscn3)cc2[nH]1)N1CCC1
InChIInChI=1S/C20H22N4O2S/c25-20(24-4-1-5-24)21-9-15-6-14-7-17(13-2-3-13)19(8-18(14)23-15)26-10-16-11-27-12-22-16/h6-8,11-13,23H,1-5,9-10H2,(H,21,25)
InChIKeyKZXLDRRNRLWPHB-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.00
Rot. Bonds6

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

N-[[5-cyclopropyl-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide (PubChem CID 171518121) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[[5-cyclopropyl-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[[5-cyclopropyl-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide
PubChem CID171518121
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[[5-cyclopropyl-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide
SMILESO=C(NCc1cc2cc(C3CC3)c(OCc3cscn3)cc2[nH]1)N1CCC1
InChIInChI=1S/C20H22N4O2S/c25-20(24-4-1-5-24)21-9-15-6-14-7-17(13-2-3-13)19(8-18(14)23-15)26-10-16-11-27-12-22-16/h6-8,11-13,23H,1-5,9-10H2,(H,21,25)
InChIKeyKZXLDRRNRLWPHB-UHFFFAOYSA-N
XLogP4.00
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-fluoro-6-[2-(1,3-thiazol-4-yl)ethyl]-1H-indol-2-yl]methyl]azetidine-1-carboxamide
CID 171518187
(2S)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-(hydroxymethyl)azetidine-1-carboxamide
CID 171519776
2-(azetidin-1-yl)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide
CID 171519120
N-[[4-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide
CID 171518216
cis-(1S,2S)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-fluorocyclopropane-1-carboxamide
CID 171518553
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
N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trideuteriomethyl)cyclopropane-1-carboxamide
CID 171518053
1-methyl-N-[[5-[(E)-3-(methylamino)prop-2-enoyl]-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171517964
3-[1-(1,3-thiazol-4-ylmethylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63876641
1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171518196
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide
CID 171518233

Frequently Asked Questions

What is the IUPAC name of N-[[5-cyclopropyl-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide?
The IUPAC name of N-[[5-cyclopropyl-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide (CID 171518121) is N-[[5-cyclopropyl-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[[5-cyclopropyl-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide?
The canonical SMILES for N-[[5-cyclopropyl-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide is O=C(NCc1cc2cc(C3CC3)c(OCc3cscn3)cc2[nH]1)N1CCC1.
What is the InChIKey of N-[[5-cyclopropyl-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide?
The InChIKey is KZXLDRRNRLWPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c25-20(24-4-1-5-24)21-9-15-6-14-7-17(13-2-3-13)19(8-18(14)23-15)26-10-16-11-27-12-22-16/h6-8,11-13,23H,1-5,9-10H2,(H,21,25).
What are the key properties of N-[[5-cyclopropyl-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide?
N-[[5-cyclopropyl-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-cyclopropyl-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide is sourced from PubChem (CID 171518121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).