1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine

C14H23ClN4OS — CID 111072329

IUPAC1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
SMILESC/N=C(\NCCc1ccc(Cl)s1)NCCN1CCOCC1
InChIInChI=1S/C14H23ClN4OS/c1-16-14(17-5-4-12-2-3-13(15)21-12)18-6-7-19-8-10-20-11-9-19/h2-3H,4-11H2,1H3,(H2,16,17,18)
InChIKeyNUALZEONKVKDML-UHFFFAOYSA-N
MW330.89 g/mol
LogP1.44
Rot. Bonds6

About 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine

1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine (PubChem CID 111072329) has the molecular formula C14H23ClN4OS and a molecular weight of 330.89 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
PubChem CID111072329
Molecular FormulaC14H23ClN4OS
Molecular Weight330.89 g/mol
Exact Mass330.13
IUPAC Name1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
SMILESC/N=C(\NCCc1ccc(Cl)s1)NCCN1CCOCC1
InChIInChI=1S/C14H23ClN4OS/c1-16-14(17-5-4-12-2-3-13(15)21-12)18-6-7-19-8-10-20-11-9-19/h2-3H,4-11H2,1H3,(H2,16,17,18)
InChIKeyNUALZEONKVKDML-UHFFFAOYSA-N
XLogP1.44
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.89
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine
CID 111022923
2-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110767662
1-butyl-3-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylguanidine
CID 111149698
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111870022
2-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111793166
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111657308
1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 119149069
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111087097
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111896597
1-[(4-bromophenyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111749839
2-methyl-1-(2-morpholin-4-ylethyl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111036407
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111035440

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine (CID 111072329) is 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine is C/N=C(\NCCc1ccc(Cl)s1)NCCN1CCOCC1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is NUALZEONKVKDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4OS/c1-16-14(17-5-4-12-2-3-13(15)21-12)18-6-7-19-8-10-20-11-9-19/h2-3H,4-11H2,1H3,(H2,16,17,18).
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine?
1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 330.89 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 111072329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).