N'-(1-heptan-4-ylindol-5-yl)thiophene-2-carboximidamide

C20H25N3S — CID 89329400

IUPACN'-(1-heptan-4-ylindol-5-yl)thiophene-2-carboximidamide
SMILESCCCC(CCC)n1ccc2cc(/N=C(\N)c3cccs3)ccc21
InChIInChI=1S/C20H25N3S/c1-3-6-17(7-4-2)23-12-11-15-14-16(9-10-18(15)23)22-20(21)19-8-5-13-24-19/h5,8-14,17H,3-4,6-7H2,1-2H3,(H2,21,22)
InChIKeyMCPUWSBGMCDILP-UHFFFAOYSA-N
MW339.51 g/mol
LogP5.88
Rot. Bonds7

About N'-(1-heptan-4-ylindol-5-yl)thiophene-2-carboximidamide

N'-(1-heptan-4-ylindol-5-yl)thiophene-2-carboximidamide (PubChem CID 89329400) has the molecular formula C20H25N3S and a molecular weight of 339.51 g/mol. Its IUPAC name is N'-(1-heptan-4-ylindol-5-yl)thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-(1-heptan-4-ylindol-5-yl)thiophene-2-carboximidamide
PubChem CID89329400
Molecular FormulaC20H25N3S
Molecular Weight339.51 g/mol
Exact Mass339.18
IUPAC NameN'-(1-heptan-4-ylindol-5-yl)thiophene-2-carboximidamide
SMILESCCCC(CCC)n1ccc2cc(/N=C(\N)c3cccs3)ccc21
InChIInChI=1S/C20H25N3S/c1-3-6-17(7-4-2)23-12-11-15-14-16(9-10-18(15)23)22-20(21)19-8-5-13-24-19/h5,8-14,17H,3-4,6-7H2,1-2H3,(H2,21,22)
InChIKeyMCPUWSBGMCDILP-UHFFFAOYSA-N
XLogP5.88
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.51
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(1-heptan-4-ylindol-5-yl)thiophene-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N'-[1-(oxan-4-yl)indol-5-yl]thiophene-2-carboximidamide
CID 143559882
N'-(1-piperidin-4-ylindol-5-yl)thiophene-2-carboximidamide
CID 134821993
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
N'-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide
CID 24759031
N'-[2-methyl-1-(2-pyrrolidin-1-ylethyl)indol-5-yl]thiophene-2-carboximidamide
CID 24758805
N'-[1-(3-ethyl-4-iminopentyl)indol-6-yl]thiophene-2-carboximidamide
CID 174630855
N'-[3-(1-aminoheptan-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide
CID 89329677
N'-[3-[[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylamino]methyl]phenyl]thiophene-2-carboximidamide
CID 22646267
N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
CID 45260612
N'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide
CID 142085142
N'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride
CID 70131323
N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide
CID 10199347

Frequently Asked Questions

What is the IUPAC name of N'-(1-heptan-4-ylindol-5-yl)thiophene-2-carboximidamide?
The IUPAC name of N'-(1-heptan-4-ylindol-5-yl)thiophene-2-carboximidamide (CID 89329400) is N'-(1-heptan-4-ylindol-5-yl)thiophene-2-carboximidamide.
What is the SMILES notation for N'-(1-heptan-4-ylindol-5-yl)thiophene-2-carboximidamide?
The canonical SMILES for N'-(1-heptan-4-ylindol-5-yl)thiophene-2-carboximidamide is CCCC(CCC)n1ccc2cc(/N=C(\N)c3cccs3)ccc21.
What is the InChIKey of N'-(1-heptan-4-ylindol-5-yl)thiophene-2-carboximidamide?
The InChIKey is MCPUWSBGMCDILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3S/c1-3-6-17(7-4-2)23-12-11-15-14-16(9-10-18(15)23)22-20(21)19-8-5-13-24-19/h5,8-14,17H,3-4,6-7H2,1-2H3,(H2,21,22).
What are the key properties of N'-(1-heptan-4-ylindol-5-yl)thiophene-2-carboximidamide?
N'-(1-heptan-4-ylindol-5-yl)thiophene-2-carboximidamide has a molecular weight of 339.51 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-heptan-4-ylindol-5-yl)thiophene-2-carboximidamide is sourced from PubChem (CID 89329400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).