1-(2-chloro-5-methanethioylphenyl)-2-naphthalen-1-ylguanidine;hydrochloride

C18H15Cl2N3S — CID 22121785

IUPAC1-(2-chloro-5-methanethioylphenyl)-2-naphthalen-1-ylguanidine;hydrochloride
SMILESCl.N/C(=N\c1cccc2ccccc12)Nc1cc(C=S)ccc1Cl
InChIInChI=1S/C18H14ClN3S.ClH/c19-15-9-8-12(11-23)10-17(15)22-18(20)21-16-7-3-5-13-4-1-2-6-14(13)16;/h1-11H,(H3,20,21,22);1H
InChIKeyLKLAQIZAEZSGFA-UHFFFAOYSA-N
MW376.31 g/mol
LogP5.32
Rot. Bonds3

About 1-(2-chloro-5-methanethioylphenyl)-2-naphthalen-1-ylguanidine;hydrochloride

1-(2-chloro-5-methanethioylphenyl)-2-naphthalen-1-ylguanidine;hydrochloride (PubChem CID 22121785) has the molecular formula C18H15Cl2N3S and a molecular weight of 376.31 g/mol. Its IUPAC name is 1-(2-chloro-5-methanethioylphenyl)-2-naphthalen-1-ylguanidine;hydrochloride.

Molecular Properties

Compound Name1-(2-chloro-5-methanethioylphenyl)-2-naphthalen-1-ylguanidine;hydrochloride
PubChem CID22121785
Molecular FormulaC18H15Cl2N3S
Molecular Weight376.31 g/mol
Exact Mass375.04
IUPAC Name1-(2-chloro-5-methanethioylphenyl)-2-naphthalen-1-ylguanidine;hydrochloride
SMILESCl.N/C(=N\c1cccc2ccccc12)Nc1cc(C=S)ccc1Cl
InChIInChI=1S/C18H14ClN3S.ClH/c19-15-9-8-12(11-23)10-17(15)22-18(20)21-16-7-3-5-13-4-1-2-6-14(13)16;/h1-11H,(H3,20,21,22);1H
InChIKeyLKLAQIZAEZSGFA-UHFFFAOYSA-N
XLogP5.32
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.31
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(2-chloro-5-methanethioylphenyl)-2-naphthalen-1-ylguanidine;hydrochloride 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-ethyl-2-fluorophenyl)-2-naphthalen-1-ylguanidine;hydrochloride
CID 22121814
2-(2-bromo-3-methylphenyl)-1-naphthalen-1-ylguanidine
CID 139844863
2-(4-methoxynaphthalen-1-yl)-1-naphthalen-1-ylguanidine
CID 142680141
1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine
CID 18751970
1-[2-methylsulfanyl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylguanidine
CID 22120056
N'-naphthalen-1-yl-2-sulfanylethanimidamide
CID 90668652
2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine
CID 18751670
(N'-naphthalen-1-ylcarbamimidoyl) N-naphthalen-1-ylcarbamate
CID 68502667
naphthalen-1-ylurea;hydrochloride
CID 141142203
1-naphthalen-1-yl-2-propan-2-ylguanidine
CID 55068402
N'-naphthalen-1-ylcyclopentanecarboximidamide
CID 63173973
N-naphthalen-1-yl-1-[4-(naphthalen-1-yliminomethyl)phenyl]methanimine
CID 3811018

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methanethioylphenyl)-2-naphthalen-1-ylguanidine;hydrochloride?
The IUPAC name of 1-(2-chloro-5-methanethioylphenyl)-2-naphthalen-1-ylguanidine;hydrochloride (CID 22121785) is 1-(2-chloro-5-methanethioylphenyl)-2-naphthalen-1-ylguanidine;hydrochloride.
What is the SMILES notation for 1-(2-chloro-5-methanethioylphenyl)-2-naphthalen-1-ylguanidine;hydrochloride?
The canonical SMILES for 1-(2-chloro-5-methanethioylphenyl)-2-naphthalen-1-ylguanidine;hydrochloride is Cl.N/C(=N\c1cccc2ccccc12)Nc1cc(C=S)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-methanethioylphenyl)-2-naphthalen-1-ylguanidine;hydrochloride?
The InChIKey is LKLAQIZAEZSGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3S.ClH/c19-15-9-8-12(11-23)10-17(15)22-18(20)21-16-7-3-5-13-4-1-2-6-14(13)16;/h1-11H,(H3,20,21,22);1H.
What are the key properties of 1-(2-chloro-5-methanethioylphenyl)-2-naphthalen-1-ylguanidine;hydrochloride?
1-(2-chloro-5-methanethioylphenyl)-2-naphthalen-1-ylguanidine;hydrochloride has a molecular weight of 376.31 g/mol, XLogP of 5.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methanethioylphenyl)-2-naphthalen-1-ylguanidine;hydrochloride is sourced from PubChem (CID 22121785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).