phenyl N,N-diethyl-N'-phenylcarbamimidothioate

C17H20N2S — CID 3725476

IUPACphenyl N,N-diethyl-N'-phenylcarbamimidothioate
SMILESCCN(CC)/C(=N\c1ccccc1)Sc1ccccc1
InChIInChI=1S/C17H20N2S/c1-3-19(4-2)17(18-15-11-7-5-8-12-15)20-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3/b18-17+
InChIKeyWRBKMCXEGQHJLT-ISLYRVAYSA-N
MW284.43 g/mol
LogP4.81
Rot. Bonds4

About phenyl N,N-diethyl-N'-phenylcarbamimidothioate

phenyl N,N-diethyl-N'-phenylcarbamimidothioate (PubChem CID 3725476) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is phenyl N,N-diethyl-N'-phenylcarbamimidothioate.

Molecular Properties

Compound Namephenyl N,N-diethyl-N'-phenylcarbamimidothioate
PubChem CID3725476
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Namephenyl N,N-diethyl-N'-phenylcarbamimidothioate
SMILESCCN(CC)/C(=N\c1ccccc1)Sc1ccccc1
InChIInChI=1S/C17H20N2S/c1-3-19(4-2)17(18-15-11-7-5-8-12-15)20-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3/b18-17+
InChIKeyWRBKMCXEGQHJLT-ISLYRVAYSA-N
XLogP4.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.81
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'}

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Related Compounds

3,4,4,6-Tetramethyl-2-phenylimino-2,3-dihydro-4H-1,3-thiazine
CID 217153
N'-(2H-1,4-benzothiazin-3-yl)-N,N-diethylacetamidine
CID 25234808
N'-(2H-1,4-benzothiazin-3-yl)-N,N-dipropylacetamidine
CID 59437105
3-methyl-5-methylidene-N-phenyl-1,3-thiazolidin-2-imine
CID 155545237
(2Z)-3-Methyl-N-phenyl-1,3-thiazinan-2-imine
CID 12830067
(4-fluorophenyl) N,N-dimethyl-N'-phenylcarbamimidothioate
CID 134851015
phenyl N'-(4-fluorophenyl)-N,N-dimethylcarbamimidothioate
CID 134852617
(4-methylphenyl) N'-(4-fluorophenyl)-N,N-dimethylcarbamimidothioate
CID 134863886
4,5-dimethyl-N,3-diphenyl-1,3-thiazol-2-imine
CID 2798903
(Z)-N-(3-butyl-4-methylthiazol-2(3H)-ylidene)aniline
CID 3458842
2-(Dimethylamino)ethyl N-phenyl-1-piperidinecarbimidothioate
CID 376071
Benzenamine, N-(3-ethyl-4-methyl-2(3H)-thiazolylidene)-4-(2-phenyldiazenyl)-
CID 3399702

Frequently Asked Questions

What is the IUPAC name of phenyl N,N-diethyl-N'-phenylcarbamimidothioate?
The IUPAC name of phenyl N,N-diethyl-N'-phenylcarbamimidothioate (CID 3725476) is phenyl N,N-diethyl-N'-phenylcarbamimidothioate.
What is the SMILES notation for phenyl N,N-diethyl-N'-phenylcarbamimidothioate?
The canonical SMILES for phenyl N,N-diethyl-N'-phenylcarbamimidothioate is CCN(CC)/C(=N\c1ccccc1)Sc1ccccc1.
What is the InChIKey of phenyl N,N-diethyl-N'-phenylcarbamimidothioate?
The InChIKey is WRBKMCXEGQHJLT-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-3-19(4-2)17(18-15-11-7-5-8-12-15)20-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3/b18-17+.
What are the key properties of phenyl N,N-diethyl-N'-phenylcarbamimidothioate?
phenyl N,N-diethyl-N'-phenylcarbamimidothioate has a molecular weight of 284.43 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N,N-diethyl-N'-phenylcarbamimidothioate is sourced from PubChem (CID 3725476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).