N'-[1-[3-(diethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide

C20H26N4S — CID 15950438

IUPACN'-[1-[3-(diethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide
SMILESCCN(CC)CCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21
InChIInChI=1S/C20H26N4S/c1-3-23(4-2)11-6-12-24-13-10-16-8-9-17(15-18(16)24)22-20(21)19-7-5-14-25-19/h5,7-10,13-15H,3-4,6,11-12H2,1-2H3,(H2,21,22)
InChIKeyJOVMTOKUHQGASN-UHFFFAOYSA-N
MW354.52 g/mol
LogP4.47
Rot. Bonds8

About N'-[1-[3-(diethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide

N'-[1-[3-(diethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide (PubChem CID 15950438) has the molecular formula C20H26N4S and a molecular weight of 354.52 g/mol. Its IUPAC name is N'-[1-[3-(diethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[1-[3-(diethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide
PubChem CID15950438
Molecular FormulaC20H26N4S
Molecular Weight354.52 g/mol
Exact Mass354.19
IUPAC NameN'-[1-[3-(diethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide
SMILESCCN(CC)CCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21
InChIInChI=1S/C20H26N4S/c1-3-23(4-2)11-6-12-24-13-10-16-8-9-17(15-18(16)24)22-20(21)19-7-5-14-25-19/h5,7-10,13-15H,3-4,6,11-12H2,1-2H3,(H2,21,22)
InChIKeyJOVMTOKUHQGASN-UHFFFAOYSA-N
XLogP4.47
TPSA46.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
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'-[1-[3-(diethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[1-[3-(diethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide (CID 15950438) is N'-[1-[3-(diethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[1-[3-(diethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[1-[3-(diethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide is CCN(CC)CCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21.
What is the InChIKey of N'-[1-[3-(diethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide?
The InChIKey is JOVMTOKUHQGASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4S/c1-3-23(4-2)11-6-12-24-13-10-16-8-9-17(15-18(16)24)22-20(21)19-7-5-14-25-19/h5,7-10,13-15H,3-4,6,11-12H2,1-2H3,(H2,21,22).
What are the key properties of N'-[1-[3-(diethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide?
N'-[1-[3-(diethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide has a molecular weight of 354.52 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[3-(diethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 15950438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).