N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;hydrochloride

C21H25ClN4S — CID 57384807

IUPACN'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;hydrochloride
SMILESCN(C)C1CC=C(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.Cl
InChIInChI=1S/C21H24N4S.ClH/c1-25(2)16-8-5-14(6-9-16)18-13-23-19-10-7-15(12-17(18)19)24-21(22)20-4-3-11-26-20;/h3-5,7,10-13,16,23H,6,8-9H2,1-2H3,(H2,22,24);1H
InChIKeyNFVFEGNKXDEQPE-UHFFFAOYSA-N
MW400.98 g/mol
LogP5.19
Rot. Bonds4

About N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;hydrochloride

N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;hydrochloride (PubChem CID 57384807) has the molecular formula C21H25ClN4S and a molecular weight of 400.98 g/mol. Its IUPAC name is N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;hydrochloride
PubChem CID57384807
Molecular FormulaC21H25ClN4S
Molecular Weight400.98 g/mol
Exact Mass400.15
IUPAC NameN'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;hydrochloride
SMILESCN(C)C1CC=C(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.Cl
InChIInChI=1S/C21H24N4S.ClH/c1-25(2)16-8-5-14(6-9-16)18-13-23-19-10-7-15(12-17(18)19)24-21(22)20-4-3-11-26-20;/h3-5,7,10-13,16,23H,6,8-9H2,1-2H3,(H2,22,24);1H
InChIKeyNFVFEGNKXDEQPE-UHFFFAOYSA-N
XLogP5.19
TPSA57.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.98
LogP ≤ 55.19
H-Bond Donors ≤ 52
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'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;hydrochloride?
The IUPAC name of N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;hydrochloride (CID 57384807) is N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;hydrochloride.
What is the SMILES notation for N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;hydrochloride?
The canonical SMILES for N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;hydrochloride is CN(C)C1CC=C(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.Cl.
What is the InChIKey of N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;hydrochloride?
The InChIKey is NFVFEGNKXDEQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4S.ClH/c1-25(2)16-8-5-14(6-9-16)18-13-23-19-10-7-15(12-17(18)19)24-21(22)20-4-3-11-26-20;/h3-5,7,10-13,16,23H,6,8-9H2,1-2H3,(H2,22,24);1H.
What are the key properties of N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;hydrochloride?
N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;hydrochloride has a molecular weight of 400.98 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;hydrochloride is sourced from PubChem (CID 57384807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).