N'-[2-methyl-1-(2-pyrrolidin-1-ylethyl)indol-5-yl]thiophene-2-carboximidamide

C20H24N4S — CID 24758805

IUPACN'-[2-methyl-1-(2-pyrrolidin-1-ylethyl)indol-5-yl]thiophene-2-carboximidamide
SMILESCc1cc2cc(/N=C(\N)c3cccs3)ccc2n1CCN1CCCC1
InChIInChI=1S/C20H24N4S/c1-15-13-16-14-17(22-20(21)19-5-4-12-25-19)6-7-18(16)24(15)11-10-23-8-2-3-9-23/h4-7,12-14H,2-3,8-11H2,1H3,(H2,21,22)
InChIKeyHNSZCUZKOLYMMA-UHFFFAOYSA-N
MW352.51 g/mol
LogP4.14
Rot. Bonds5

About N'-[2-methyl-1-(2-pyrrolidin-1-ylethyl)indol-5-yl]thiophene-2-carboximidamide

N'-[2-methyl-1-(2-pyrrolidin-1-ylethyl)indol-5-yl]thiophene-2-carboximidamide (PubChem CID 24758805) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is N'-[2-methyl-1-(2-pyrrolidin-1-ylethyl)indol-5-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[2-methyl-1-(2-pyrrolidin-1-ylethyl)indol-5-yl]thiophene-2-carboximidamide
PubChem CID24758805
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC NameN'-[2-methyl-1-(2-pyrrolidin-1-ylethyl)indol-5-yl]thiophene-2-carboximidamide
SMILESCc1cc2cc(/N=C(\N)c3cccs3)ccc2n1CCN1CCCC1
InChIInChI=1S/C20H24N4S/c1-15-13-16-14-17(22-20(21)19-5-4-12-25-19)6-7-18(16)24(15)11-10-23-8-2-3-9-23/h4-7,12-14H,2-3,8-11H2,1H3,(H2,21,22)
InChIKeyHNSZCUZKOLYMMA-UHFFFAOYSA-N
XLogP4.14
TPSA46.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 54.14
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-methylpiperidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide
CID 24759031
N'-[2-benzyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide
CID 24758686
N'-[2-methylidene-1-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-7-yl]thiophene-2-carboximidamide
CID 59807124
N'-(1-heptan-4-ylindol-5-yl)thiophene-2-carboximidamide
CID 89329400
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide
CID 10199347
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'-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide
CID 25014790
N'-[2-[2-(1,4-oxazepan-4-yl)ethylamino]-2,3-dihydro-1,3-benzothiazol-6-yl]thiophene-2-carboximidamide
CID 142858740
N'-[4-[2-(methylamino)ethyl]-2,3-dihydro-1,4-benzothiazin-7-yl]thiophene-2-carboximidamide
CID 44546584
N'-(2-benzyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide
CID 23298450

Frequently Asked Questions

What is the IUPAC name of N'-[2-methyl-1-(2-pyrrolidin-1-ylethyl)indol-5-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[2-methyl-1-(2-pyrrolidin-1-ylethyl)indol-5-yl]thiophene-2-carboximidamide (CID 24758805) is N'-[2-methyl-1-(2-pyrrolidin-1-ylethyl)indol-5-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[2-methyl-1-(2-pyrrolidin-1-ylethyl)indol-5-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[2-methyl-1-(2-pyrrolidin-1-ylethyl)indol-5-yl]thiophene-2-carboximidamide is Cc1cc2cc(/N=C(\N)c3cccs3)ccc2n1CCN1CCCC1.
What is the InChIKey of N'-[2-methyl-1-(2-pyrrolidin-1-ylethyl)indol-5-yl]thiophene-2-carboximidamide?
The InChIKey is HNSZCUZKOLYMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S/c1-15-13-16-14-17(22-20(21)19-5-4-12-25-19)6-7-18(16)24(15)11-10-23-8-2-3-9-23/h4-7,12-14H,2-3,8-11H2,1H3,(H2,21,22).
What are the key properties of N'-[2-methyl-1-(2-pyrrolidin-1-ylethyl)indol-5-yl]thiophene-2-carboximidamide?
N'-[2-methyl-1-(2-pyrrolidin-1-ylethyl)indol-5-yl]thiophene-2-carboximidamide has a molecular weight of 352.51 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-methyl-1-(2-pyrrolidin-1-ylethyl)indol-5-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 24758805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).