(2-chloro-6-fluorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate

C15H14ClFN2OS — CID 8776419

IUPAC(2-chloro-6-fluorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate
SMILESCOc1cccc(/N=C(\N)SCc2c(F)cccc2Cl)c1
InChIInChI=1S/C15H14ClFN2OS/c1-20-11-5-2-4-10(8-11)19-15(18)21-9-12-13(16)6-3-7-14(12)17/h2-8H,9H2,1H3,(H2,18,19)
InChIKeyFVEHZFJXJXRSHQ-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.37
Rot. Bonds4

About (2-chloro-6-fluorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate

(2-chloro-6-fluorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate (PubChem CID 8776419) has the molecular formula C15H14ClFN2OS and a molecular weight of 324.81 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate
PubChem CID8776419
Molecular FormulaC15H14ClFN2OS
Molecular Weight324.81 g/mol
Exact Mass324.05
IUPAC Name(2-chloro-6-fluorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate
SMILESCOc1cccc(/N=C(\N)SCc2c(F)cccc2Cl)c1
InChIInChI=1S/C15H14ClFN2OS/c1-20-11-5-2-4-10(8-11)19-15(18)21-9-12-13(16)6-3-7-14(12)17/h2-8H,9H2,1H3,(H2,18,19)
InChIKeyFVEHZFJXJXRSHQ-UHFFFAOYSA-N
XLogP4.37
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-chloro-6-fluorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate 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

(2,6-dichlorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate
CID 8776421
(2-chloro-6-fluorophenyl)methyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate
CID 8775994
2-(4-fluorophenoxy)ethyl N'-(3-methoxyphenyl)carbamimidothioate
CID 8776447
(2-chloro-6-fluorophenyl)methyl N'-benzylcarbamimidothioate
CID 8776074
(2-chloro-6-fluorophenyl)methyl N-(diaminomethylidene)carbamimidothioate
CID 59411815
1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine
CID 61496061
3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine
CID 82139834
N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 39402896
4-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide
CID 525574
(7-ethyl-2-oxochromen-4-yl)methyl N'-(3-methoxyphenyl)carbamimidothioate
CID 8776428
2-(3-methoxyphenyl)guanidine;nitrous acid
CID 86595100
[4-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]phenyl]methyl N'-(3,5-dichlorophenyl)carbamimidothioate
CID 6163457

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate (CID 8776419) is (2-chloro-6-fluorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate is COc1cccc(/N=C(\N)SCc2c(F)cccc2Cl)c1.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate?
The InChIKey is FVEHZFJXJXRSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2OS/c1-20-11-5-2-4-10(8-11)19-15(18)21-9-12-13(16)6-3-7-14(12)17/h2-8H,9H2,1H3,(H2,18,19).
What are the key properties of (2-chloro-6-fluorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate?
(2-chloro-6-fluorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate has a molecular weight of 324.81 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate is sourced from PubChem (CID 8776419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).