N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide

C20H24N4OS — CID 15951191

IUPACN'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2[nH]cc(CCCN3CCOCC3)c2c1)c1cccs1
InChIInChI=1S/C20H24N4OS/c21-20(19-4-2-12-26-19)23-16-5-6-18-17(13-16)15(14-22-18)3-1-7-24-8-10-25-11-9-24/h2,4-6,12-14,22H,1,3,7-11H2,(H2,21,23)
InChIKeyBBLDNOAEGRQVKQ-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.53
Rot. Bonds6

About N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide

N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide (PubChem CID 15951191) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide
PubChem CID15951191
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC NameN'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2[nH]cc(CCCN3CCOCC3)c2c1)c1cccs1
InChIInChI=1S/C20H24N4OS/c21-20(19-4-2-12-26-19)23-16-5-6-18-17(13-16)15(14-22-18)3-1-7-24-8-10-25-11-9-24/h2,4-6,12-14,22H,1,3,7-11H2,(H2,21,23)
InChIKeyBBLDNOAEGRQVKQ-UHFFFAOYSA-N
XLogP3.53
TPSA66.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide (CID 15951191) is N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide is N/C(=N\c1ccc2[nH]cc(CCCN3CCOCC3)c2c1)c1cccs1.
What is the InChIKey of N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide?
The InChIKey is BBLDNOAEGRQVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c21-20(19-4-2-12-26-19)23-16-5-6-18-17(13-16)15(14-22-18)3-1-7-24-8-10-25-11-9-24/h2,4-6,12-14,22H,1,3,7-11H2,(H2,21,23).
What are the key properties of N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide?
N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide has a molecular weight of 368.51 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 15951191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).