(4-fluorophenyl) N,N-dimethyl-N'-phenylcarbamimidothioate

C15H15FN2S — CID 134851015

IUPAC(4-fluorophenyl) N,N-dimethyl-N'-phenylcarbamimidothioate
SMILESCN(C)/C(=N\c1ccccc1)Sc1ccc(F)cc1
InChIInChI=1S/C15H15FN2S/c1-18(2)15(17-13-6-4-3-5-7-13)19-14-10-8-12(16)9-11-14/h3-11H,1-2H3/b17-15+
InChIKeyAKYQETWPTQEUKI-BMRADRMJSA-N
MW274.36 g/mol
LogP4.17
Rot. Bonds2

About (4-fluorophenyl) N,N-dimethyl-N'-phenylcarbamimidothioate

(4-fluorophenyl) N,N-dimethyl-N'-phenylcarbamimidothioate (PubChem CID 134851015) has the molecular formula C15H15FN2S and a molecular weight of 274.36 g/mol. Its IUPAC name is (4-fluorophenyl) N,N-dimethyl-N'-phenylcarbamimidothioate.

Molecular Properties

Compound Name(4-fluorophenyl) N,N-dimethyl-N'-phenylcarbamimidothioate
PubChem CID134851015
Molecular FormulaC15H15FN2S
Molecular Weight274.36 g/mol
Exact Mass274.09
IUPAC Name(4-fluorophenyl) N,N-dimethyl-N'-phenylcarbamimidothioate
SMILESCN(C)/C(=N\c1ccccc1)Sc1ccc(F)cc1
InChIInChI=1S/C15H15FN2S/c1-18(2)15(17-13-6-4-3-5-7-13)19-14-10-8-12(16)9-11-14/h3-11H,1-2H3/b17-15+
InChIKeyAKYQETWPTQEUKI-BMRADRMJSA-N
XLogP4.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-fluorophenyl) N,N-dimethyl-N'-phenylcarbamimidothioate 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

3,4,4,6-Tetramethyl-2-phenylimino-2,3-dihydro-4H-1,3-thiazine
CID 217153
N-(2-fluorophenyl)-3-methyl-1,3-thiazinan-2-imine
CID 1432087
phenyl N'-(4-fluorophenyl)-N,N-dimethylcarbamimidothioate
CID 134852617
(4-methylphenyl) N'-(4-fluorophenyl)-N,N-dimethylcarbamimidothioate
CID 134863886
phenyl N-phenylmethanimidothioate
CID 85959638
3-methyl-N2,N4-diphenyl-1,3-thiazetidine-2,4-diimine
CID 364040
N'-(2-fluoro-4-methylsulfanylphenyl)-N-methylmethanediimine
CID 87427744
methyl N-methyl-N'-phenyl-N-(trifluoromethyl)carbamimidothioate
CID 123970263
Carbamimidothioic acid, N,N-diethyl-N'-phenyl-, phenyl ester
CID 3725476
(2-chlorophenyl) N,N-dimethyl-N'-phenylcarbamimidothioate
CID 134850364
phenyl N,N-dimethyl-N'-phenylcarbamimidothioate
CID 134850569
(2-methylphenyl) N,N-dimethyl-N'-phenylcarbamimidothioate
CID 134850626

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) N,N-dimethyl-N'-phenylcarbamimidothioate?
The IUPAC name of (4-fluorophenyl) N,N-dimethyl-N'-phenylcarbamimidothioate (CID 134851015) is (4-fluorophenyl) N,N-dimethyl-N'-phenylcarbamimidothioate.
What is the SMILES notation for (4-fluorophenyl) N,N-dimethyl-N'-phenylcarbamimidothioate?
The canonical SMILES for (4-fluorophenyl) N,N-dimethyl-N'-phenylcarbamimidothioate is CN(C)/C(=N\c1ccccc1)Sc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) N,N-dimethyl-N'-phenylcarbamimidothioate?
The InChIKey is AKYQETWPTQEUKI-BMRADRMJSA-N. The full InChI is InChI=1S/C15H15FN2S/c1-18(2)15(17-13-6-4-3-5-7-13)19-14-10-8-12(16)9-11-14/h3-11H,1-2H3/b17-15+.
What are the key properties of (4-fluorophenyl) N,N-dimethyl-N'-phenylcarbamimidothioate?
(4-fluorophenyl) N,N-dimethyl-N'-phenylcarbamimidothioate has a molecular weight of 274.36 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) N,N-dimethyl-N'-phenylcarbamimidothioate is sourced from PubChem (CID 134851015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).