2-(azetidin-1-yl)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide

C18H19ClN4O2S — CID 171519120

IUPAC2-(azetidin-1-yl)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide
SMILESO=C(CN1CCC1)NCc1cc2cc(Cl)c(OCc3cscn3)cc2[nH]1
InChIInChI=1S/C18H19ClN4O2S/c19-15-5-12-4-13(7-20-18(24)8-23-2-1-3-23)22-16(12)6-17(15)25-9-14-10-26-11-21-14/h4-6,10-11,22H,1-3,7-9H2,(H,20,24)
InChIKeySHFJMXYWXWIBEF-UHFFFAOYSA-N
MW390.90 g/mol
LogP3.18
Rot. Bonds7

About 2-(azetidin-1-yl)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide

2-(azetidin-1-yl)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide (PubChem CID 171519120) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(azetidin-1-yl)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide
PubChem CID171519120
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC Name2-(azetidin-1-yl)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide
SMILESO=C(CN1CCC1)NCc1cc2cc(Cl)c(OCc3cscn3)cc2[nH]1
InChIInChI=1S/C18H19ClN4O2S/c19-15-5-12-4-13(7-20-18(24)8-23-2-1-3-23)22-16(12)6-17(15)25-9-14-10-26-11-21-14/h4-6,10-11,22H,1-3,7-9H2,(H,20,24)
InChIKeySHFJMXYWXWIBEF-UHFFFAOYSA-N
XLogP3.18
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide?
The IUPAC name of 2-(azetidin-1-yl)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide (CID 171519120) is 2-(azetidin-1-yl)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(azetidin-1-yl)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide?
The canonical SMILES for 2-(azetidin-1-yl)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide is O=C(CN1CCC1)NCc1cc2cc(Cl)c(OCc3cscn3)cc2[nH]1.
What is the InChIKey of 2-(azetidin-1-yl)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide?
The InChIKey is SHFJMXYWXWIBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c19-15-5-12-4-13(7-20-18(24)8-23-2-1-3-23)22-16(12)6-17(15)25-9-14-10-26-11-21-14/h4-6,10-11,22H,1-3,7-9H2,(H,20,24).
What are the key properties of 2-(azetidin-1-yl)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide?
2-(azetidin-1-yl)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide has a molecular weight of 390.90 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide is sourced from PubChem (CID 171519120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).