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

C17H17FN4O2S — CID 171518216

IUPACN-[[4-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide
SMILESO=C(NCc1cc2c(F)cc(OCc3cscn3)cc2[nH]1)N1CCC1
InChIInChI=1S/C17H17FN4O2S/c18-15-5-13(24-8-12-9-25-10-20-12)6-16-14(15)4-11(21-16)7-19-17(23)22-2-1-3-22/h4-6,9-10,21H,1-3,7-8H2,(H,19,23)
InChIKeyRRTRGYCFUYVUCS-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.26
Rot. Bonds5

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

N-[[4-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide (PubChem CID 171518216) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[[4-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide
PubChem CID171518216
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC NameN-[[4-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide
SMILESO=C(NCc1cc2c(F)cc(OCc3cscn3)cc2[nH]1)N1CCC1
InChIInChI=1S/C17H17FN4O2S/c18-15-5-13(24-8-12-9-25-10-20-12)6-16-14(15)4-11(21-16)7-19-17(23)22-2-1-3-22/h4-6,9-10,21H,1-3,7-8H2,(H,19,23)
InChIKeyRRTRGYCFUYVUCS-UHFFFAOYSA-N
XLogP3.26
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide?
The IUPAC name of N-[[4-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide (CID 171518216) is N-[[4-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[[4-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide?
The canonical SMILES for N-[[4-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide is O=C(NCc1cc2c(F)cc(OCc3cscn3)cc2[nH]1)N1CCC1.
What is the InChIKey of N-[[4-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide?
The InChIKey is RRTRGYCFUYVUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c18-15-5-13(24-8-12-9-25-10-20-12)6-16-14(15)4-11(21-16)7-19-17(23)22-2-1-3-22/h4-6,9-10,21H,1-3,7-8H2,(H,19,23).
What are the key properties of N-[[4-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide?
N-[[4-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide is sourced from PubChem (CID 171518216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).