1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine

C17H25ClN4O2S — CID 111640468

IUPAC1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCN1CCCS1(=O)=O)NCC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN4O2S/c1-19-16(20-8-10-22-9-3-11-25(22,23)24)21-13-17(6-7-17)14-4-2-5-15(18)12-14/h2,4-5,12H,3,6-11,13H2,1H3,(H2,19,20,21)
InChIKeyKAPAJYUZLQOUGA-UHFFFAOYSA-N
MW384.93 g/mol
LogP1.57
Rot. Bonds6

About 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine

1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine (PubChem CID 111640468) has the molecular formula C17H25ClN4O2S and a molecular weight of 384.93 g/mol. Its IUPAC name is 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine
PubChem CID111640468
Molecular FormulaC17H25ClN4O2S
Molecular Weight384.93 g/mol
Exact Mass384.14
IUPAC Name1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCN1CCCS1(=O)=O)NCC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN4O2S/c1-19-16(20-8-10-22-9-3-11-25(22,23)24)21-13-17(6-7-17)14-4-2-5-15(18)12-14/h2,4-5,12H,3,6-11,13H2,1H3,(H2,19,20,21)
InChIKeyKAPAJYUZLQOUGA-UHFFFAOYSA-N
XLogP1.57
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 51.57
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 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine 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

1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111639689
1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
CID 111637452
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111640486
1-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111081178
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111640373
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide
CID 111640177
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[(1,1-dioxothiolan-3-yl)methyl]-2-methylguanidine
CID 111639998
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111988222
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 111640277
methyl 5-[[N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-N'-methylcarbamimidoyl]amino]pentanoate;hydroiodide
CID 111640483
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111640148
1-[(3-chlorophenyl)methyl]-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1,2-dimethylguanidine
CID 111305473

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine?
The IUPAC name of 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine (CID 111640468) is 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine is C/N=C(\NCCN1CCCS1(=O)=O)NCC1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine?
The InChIKey is KAPAJYUZLQOUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2S/c1-19-16(20-8-10-22-9-3-11-25(22,23)24)21-13-17(6-7-17)14-4-2-5-15(18)12-14/h2,4-5,12H,3,6-11,13H2,1H3,(H2,19,20,21).
What are the key properties of 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine?
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine has a molecular weight of 384.93 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine is sourced from PubChem (CID 111640468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).