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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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).