2-(2-carbamothioyl-N,4-dimethylanilino)-N,N-diethylacetamide

C15H23N3OS — CID 107928670

IUPAC2-(2-carbamothioyl-N,4-dimethylanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1ccc(C)cc1C(N)=S
InChIInChI=1S/C15H23N3OS/c1-5-18(6-2)14(19)10-17(4)13-8-7-11(3)9-12(13)15(16)20/h7-9H,5-6,10H2,1-4H3,(H2,16,20)
InChIKeyCEKFUOJXIVIAKV-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.93
Rot. Bonds6

About 2-(2-carbamothioyl-N,4-dimethylanilino)-N,N-diethylacetamide

2-(2-carbamothioyl-N,4-dimethylanilino)-N,N-diethylacetamide (PubChem CID 107928670) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(2-carbamothioyl-N,4-dimethylanilino)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2-carbamothioyl-N,4-dimethylanilino)-N,N-diethylacetamide
PubChem CID107928670
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(2-carbamothioyl-N,4-dimethylanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1ccc(C)cc1C(N)=S
InChIInChI=1S/C15H23N3OS/c1-5-18(6-2)14(19)10-17(4)13-8-7-11(3)9-12(13)15(16)20/h7-9H,5-6,10H2,1-4H3,(H2,16,20)
InChIKeyCEKFUOJXIVIAKV-UHFFFAOYSA-N
XLogP1.93
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-carbamothioyl-4-methyl-N-propylanilino)acetate
CID 107928791
2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide
CID 115545191
2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide
CID 63672665
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-methylbenzenecarbothioamide
CID 107929337
5-methyl-2-(N,2,4-trimethylanilino)benzenecarbothioamide
CID 107928865
2-[ethyl(2-ethylbutyl)amino]-5-methylbenzenecarbothioamide
CID 107928650
5-methyl-2-[methyl(thiophen-3-ylmethyl)amino]benzenecarbothioamide
CID 114017039
5-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarbothioamide
CID 107928594
2-[(4-carbamothioyl-2-pyridinyl)-methylamino]-N,N-diethylacetamide
CID 61452633
2-[benzyl(ethyl)amino]-5-methylbenzenecarbothioamide
CID 107928507
N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide
CID 62124186
5-methyl-2-[methyl(pyridin-3-ylmethyl)amino]benzenecarbothioamide
CID 107928562

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioyl-N,4-dimethylanilino)-N,N-diethylacetamide?
The IUPAC name of 2-(2-carbamothioyl-N,4-dimethylanilino)-N,N-diethylacetamide (CID 107928670) is 2-(2-carbamothioyl-N,4-dimethylanilino)-N,N-diethylacetamide.
What is the SMILES notation for 2-(2-carbamothioyl-N,4-dimethylanilino)-N,N-diethylacetamide?
The canonical SMILES for 2-(2-carbamothioyl-N,4-dimethylanilino)-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)c1ccc(C)cc1C(N)=S.
What is the InChIKey of 2-(2-carbamothioyl-N,4-dimethylanilino)-N,N-diethylacetamide?
The InChIKey is CEKFUOJXIVIAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-5-18(6-2)14(19)10-17(4)13-8-7-11(3)9-12(13)15(16)20/h7-9H,5-6,10H2,1-4H3,(H2,16,20).
What are the key properties of 2-(2-carbamothioyl-N,4-dimethylanilino)-N,N-diethylacetamide?
2-(2-carbamothioyl-N,4-dimethylanilino)-N,N-diethylacetamide has a molecular weight of 293.44 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioyl-N,4-dimethylanilino)-N,N-diethylacetamide is sourced from PubChem (CID 107928670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).