1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine

C17H19ClN4S — CID 111800554

IUPAC1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\CCc1cccs1)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H19ClN4S/c18-13-3-4-16-15(10-13)12(11-22-16)5-7-20-17(19)21-8-6-14-2-1-9-23-14/h1-4,9-11,22H,5-8H2,(H3,19,20,21)
InChIKeyUJOMKQLPSZQTDU-UHFFFAOYSA-N
MW346.89 g/mol
LogP3.57
Rot. Bonds6

About 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine

1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111800554) has the molecular formula C17H19ClN4S and a molecular weight of 346.89 g/mol. Its IUPAC name is 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
PubChem CID111800554
Molecular FormulaC17H19ClN4S
Molecular Weight346.89 g/mol
Exact Mass346.10
IUPAC Name1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\CCc1cccs1)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H19ClN4S/c18-13-3-4-16-15(10-13)12(11-22-16)5-7-20-17(19)21-8-6-14-2-1-9-23-14/h1-4,9-11,22H,5-8H2,(H3,19,20,21)
InChIKeyUJOMKQLPSZQTDU-UHFFFAOYSA-N
XLogP3.57
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.89
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111806432
1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 109467911
1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111044377
4-chloro-N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]benzamide;hydrobromide
CID 138996591
2-chloro-N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111043298
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111100212
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hexylguanidine
CID 111802162
N-[(6-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-ylethanamine
CID 78968564
2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine
CID 111800596
1-[2-(1-benzofuran-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111818046
2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111758113

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine (CID 111800554) is 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine is N/C(=N\CCc1cccs1)NCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is UJOMKQLPSZQTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4S/c18-13-3-4-16-15(10-13)12(11-22-16)5-7-20-17(19)21-8-6-14-2-1-9-23-14/h1-4,9-11,22H,5-8H2,(H3,19,20,21).
What are the key properties of 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine?
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 346.89 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111800554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).