N'-[1-(3-ethyl-4-iminopentyl)indol-6-yl]thiophene-2-carboximidamide

C20H24N4S — CID 174630855

IUPACN'-[1-(3-ethyl-4-iminopentyl)indol-6-yl]thiophene-2-carboximidamide
SMILES[H]/N=C(\C)C(CC)CCn1ccc2ccc(/N=C(\N)c3cccs3)cc21
InChIInChI=1S/C20H24N4S/c1-3-15(14(2)21)8-10-24-11-9-16-6-7-17(13-18(16)24)23-20(22)19-5-4-12-25-19/h4-7,9,11-13,15,21H,3,8,10H2,1-2H3,(H2,22,23)/b21-14+
InChIKeyCGXFYQSMRCCBMK-KGENOOAVSA-N
MW352.51 g/mol
LogP5.20
Rot. Bonds7

About N'-[1-(3-ethyl-4-iminopentyl)indol-6-yl]thiophene-2-carboximidamide

N'-[1-(3-ethyl-4-iminopentyl)indol-6-yl]thiophene-2-carboximidamide (PubChem CID 174630855) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is N'-[1-(3-ethyl-4-iminopentyl)indol-6-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[1-(3-ethyl-4-iminopentyl)indol-6-yl]thiophene-2-carboximidamide
PubChem CID174630855
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC NameN'-[1-(3-ethyl-4-iminopentyl)indol-6-yl]thiophene-2-carboximidamide
SMILES[H]/N=C(\C)C(CC)CCn1ccc2ccc(/N=C(\N)c3cccs3)cc21
InChIInChI=1S/C20H24N4S/c1-3-15(14(2)21)8-10-24-11-9-16-6-7-17(13-18(16)24)23-20(22)19-5-4-12-25-19/h4-7,9,11-13,15,21H,3,8,10H2,1-2H3,(H2,22,23)/b21-14+
InChIKeyCGXFYQSMRCCBMK-KGENOOAVSA-N
XLogP5.20
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.51
LogP ≤ 55.20
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'-[1-(3-ethyl-4-iminopentyl)indol-6-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[1-(3-ethyl-4-iminopentyl)indol-6-yl]thiophene-2-carboximidamide (CID 174630855) is N'-[1-(3-ethyl-4-iminopentyl)indol-6-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[1-(3-ethyl-4-iminopentyl)indol-6-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[1-(3-ethyl-4-iminopentyl)indol-6-yl]thiophene-2-carboximidamide is [H]/N=C(\C)C(CC)CCn1ccc2ccc(/N=C(\N)c3cccs3)cc21.
What is the InChIKey of N'-[1-(3-ethyl-4-iminopentyl)indol-6-yl]thiophene-2-carboximidamide?
The InChIKey is CGXFYQSMRCCBMK-KGENOOAVSA-N. The full InChI is InChI=1S/C20H24N4S/c1-3-15(14(2)21)8-10-24-11-9-16-6-7-17(13-18(16)24)23-20(22)19-5-4-12-25-19/h4-7,9,11-13,15,21H,3,8,10H2,1-2H3,(H2,22,23)/b21-14+.
What are the key properties of N'-[1-(3-ethyl-4-iminopentyl)indol-6-yl]thiophene-2-carboximidamide?
N'-[1-(3-ethyl-4-iminopentyl)indol-6-yl]thiophene-2-carboximidamide has a molecular weight of 352.51 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-ethyl-4-iminopentyl)indol-6-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 174630855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).