N-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2,3-dihydroindole-1-carboximidamide

C18H24N4S — CID 110984718

IUPACN-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2,3-dihydroindole-1-carboximidamide
SMILESCCN/C(=N\CCCc1nc(C)cs1)N1CCc2ccccc21
InChIInChI=1S/C18H24N4S/c1-3-19-18(20-11-6-9-17-21-14(2)13-23-17)22-12-10-15-7-4-5-8-16(15)22/h4-5,7-8,13H,3,6,9-12H2,1-2H3,(H,19,20)
InChIKeySRJTTWXSOZQKNQ-UHFFFAOYSA-N
MW328.49 g/mol
LogP3.41
Rot. Bonds5

About N-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2,3-dihydroindole-1-carboximidamide

N-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2,3-dihydroindole-1-carboximidamide (PubChem CID 110984718) has the molecular formula C18H24N4S and a molecular weight of 328.49 g/mol. Its IUPAC name is N-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2,3-dihydroindole-1-carboximidamide
PubChem CID110984718
Molecular FormulaC18H24N4S
Molecular Weight328.49 g/mol
Exact Mass328.17
IUPAC NameN-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2,3-dihydroindole-1-carboximidamide
SMILESCCN/C(=N\CCCc1nc(C)cs1)N1CCc2ccccc21
InChIInChI=1S/C18H24N4S/c1-3-19-18(20-11-6-9-17-21-14(2)13-23-17)22-12-10-15-7-4-5-8-16(15)22/h4-5,7-8,13H,3,6,9-12H2,1-2H3,(H,19,20)
InChIKeySRJTTWXSOZQKNQ-UHFFFAOYSA-N
XLogP3.41
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110984024
N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984305
N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110983746
N-ethyl-3,5-dimethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide
CID 111153921
N-ethyl-N'-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984737
N-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984117
N-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427277
3-benzyl-N-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111725396
N-ethyl-N'-(3-propan-2-yloxypropyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984429
N-ethyl-N'-(2-pyridin-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984033
N-ethyl-N'-[3-(methanesulfonamido)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983998
N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983612

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2,3-dihydroindole-1-carboximidamide (CID 110984718) is N-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2,3-dihydroindole-1-carboximidamide is CCN/C(=N\CCCc1nc(C)cs1)N1CCc2ccccc21.
What is the InChIKey of N-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2,3-dihydroindole-1-carboximidamide?
The InChIKey is SRJTTWXSOZQKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4S/c1-3-19-18(20-11-6-9-17-21-14(2)13-23-17)22-12-10-15-7-4-5-8-16(15)22/h4-5,7-8,13H,3,6,9-12H2,1-2H3,(H,19,20).
What are the key properties of N-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2,3-dihydroindole-1-carboximidamide?
N-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2,3-dihydroindole-1-carboximidamide has a molecular weight of 328.49 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110984718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).