1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(thiophen-2-ylmethyl)guanidine

C19H24FN3OS — CID 134099585

IUPAC1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(thiophen-2-ylmethyl)guanidine
SMILESCC1CCCCC1N/C(=N\Cc1cccs1)Nc1cc(F)ccc1O
InChIInChI=1S/C19H24FN3OS/c1-13-5-2-3-7-16(13)22-19(21-12-15-6-4-10-25-15)23-17-11-14(20)8-9-18(17)24/h4,6,8-11,13,16,24H,2-3,5,7,12H2,1H3,(H2,21,22,23)
InChIKeyRBQIRFYHNSSHEO-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.73
Rot. Bonds4

About 1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(thiophen-2-ylmethyl)guanidine

1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(thiophen-2-ylmethyl)guanidine (PubChem CID 134099585) has the molecular formula C19H24FN3OS and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(thiophen-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(thiophen-2-ylmethyl)guanidine
PubChem CID134099585
Molecular FormulaC19H24FN3OS
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(thiophen-2-ylmethyl)guanidine
SMILESCC1CCCCC1N/C(=N\Cc1cccs1)Nc1cc(F)ccc1O
InChIInChI=1S/C19H24FN3OS/c1-13-5-2-3-7-16(13)22-19(21-12-15-6-4-10-25-15)23-17-11-14(20)8-9-18(17)24/h4,6,8-11,13,16,24H,2-3,5,7,12H2,1H3,(H2,21,22,23)
InChIKeyRBQIRFYHNSSHEO-UHFFFAOYSA-N
XLogP4.73
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(thiophen-2-ylmethyl)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

1-(5-fluoro-2-hydroxyphenyl)-2-(2-hydroxyethyl)-3-(2-methylcyclohexyl)guanidine
CID 134099583
2-(2,2-dimethylpropyl)-1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine
CID 134099594
1-(5-fluoro-2-hydroxyphenyl)-2-(3-imidazol-1-ylpropyl)-3-(2-methylcyclohexyl)guanidine
CID 134099580
1-(2-hydroxy-5-phenylphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine
CID 134111473
1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine
CID 134099452
1-(2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine
CID 134099454
1-(2-methylcyclohexyl)-3-(thiophen-2-ylmethyl)thiourea
CID 46800412
N-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 134088813
1-(2-hydroxy-5-phenylphenyl)-3-(2-methylcyclohexyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 134111480
methyl 4-hydroxy-3-[[N'-[2-(4-hydroxyphenyl)ethyl]-N-(2-methylcyclohexyl)carbamimidoyl]amino]benzoate
CID 134111510
1-(2,5-difluorophenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8668974
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111841975

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(thiophen-2-ylmethyl)guanidine?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(thiophen-2-ylmethyl)guanidine (CID 134099585) is 1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(thiophen-2-ylmethyl)guanidine.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(thiophen-2-ylmethyl)guanidine?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(thiophen-2-ylmethyl)guanidine is CC1CCCCC1N/C(=N\Cc1cccs1)Nc1cc(F)ccc1O.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(thiophen-2-ylmethyl)guanidine?
The InChIKey is RBQIRFYHNSSHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3OS/c1-13-5-2-3-7-16(13)22-19(21-12-15-6-4-10-25-15)23-17-11-14(20)8-9-18(17)24/h4,6,8-11,13,16,24H,2-3,5,7,12H2,1H3,(H2,21,22,23).
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(thiophen-2-ylmethyl)guanidine?
1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(thiophen-2-ylmethyl)guanidine has a molecular weight of 361.49 g/mol, XLogP of 4.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(thiophen-2-ylmethyl)guanidine is sourced from PubChem (CID 134099585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).