N'-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide

C21H26N4S — CID 24759031

IUPACN'-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide
SMILESCN1CCCCC1CCn1ccc2cc(/N=C(\N)c3cccs3)ccc21
InChIInChI=1S/C21H26N4S/c1-24-11-3-2-5-18(24)10-13-25-12-9-16-15-17(7-8-19(16)25)23-21(22)20-6-4-14-26-20/h4,6-9,12,14-15,18H,2-3,5,10-11,13H2,1H3,(H2,22,23)
InChIKeyOTUXXVUYACDOIA-UHFFFAOYSA-N
MW366.53 g/mol
LogP4.61
Rot. Bonds5

About N'-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide

N'-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide (PubChem CID 24759031) has the molecular formula C21H26N4S and a molecular weight of 366.53 g/mol. Its IUPAC name is N'-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide
PubChem CID24759031
Molecular FormulaC21H26N4S
Molecular Weight366.53 g/mol
Exact Mass366.19
IUPAC NameN'-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide
SMILESCN1CCCCC1CCn1ccc2cc(/N=C(\N)c3cccs3)ccc21
InChIInChI=1S/C21H26N4S/c1-24-11-3-2-5-18(24)10-13-25-12-9-16-15-17(7-8-19(16)25)23-21(22)20-6-4-14-26-20/h4,6-9,12,14-15,18H,2-3,5,10-11,13H2,1H3,(H2,22,23)
InChIKeyOTUXXVUYACDOIA-UHFFFAOYSA-N
XLogP4.61
TPSA46.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.61
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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Related Compounds

N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-5-yl]furan-2-carboximidamide;dihydrochloride
CID 90664704
N'-[2-benzyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide
CID 24758686
N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3,4,5-tetrahydro-1-benzazepin-7-yl]thiophene-2-carboximidamide;dihydrochloride
CID 90665100
N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-5-yl]-2,3-dihydrothiophene-2-carboximidamide
CID 89329594
ethane;1-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(1-thiophen-2-ylethenyl)indol-5-amine;molecular hydrogen
CID 143559877
N'-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide
CID 53391875
N'-[2-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1,3-benzothiazol-6-yl]thiophene-2-carboximidamide
CID 10068681
ethane;N'-[1-(oxan-4-yl)indol-5-yl]thiophene-2-carboximidamide
CID 143559882
5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole
CID 123227825
N'-(1-heptan-4-ylindol-5-yl)thiophene-2-carboximidamide
CID 89329400
N-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide
CID 141192454
6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole
CID 107914201

Frequently Asked Questions

What is the IUPAC name of N'-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide (CID 24759031) is N'-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide is CN1CCCCC1CCn1ccc2cc(/N=C(\N)c3cccs3)ccc21.
What is the InChIKey of N'-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide?
The InChIKey is OTUXXVUYACDOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4S/c1-24-11-3-2-5-18(24)10-13-25-12-9-16-15-17(7-8-19(16)25)23-21(22)20-6-4-14-26-20/h4,6-9,12,14-15,18H,2-3,5,10-11,13H2,1H3,(H2,22,23).
What are the key properties of N'-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide?
N'-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide has a molecular weight of 366.53 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 24759031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).