3-(2-carbamothioyl-6-methylanilino)-N,N-diethylpropanamide

C15H23N3OS — CID 107108556

IUPAC3-(2-carbamothioyl-6-methylanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1c(C)cccc1C(N)=S
InChIInChI=1S/C15H23N3OS/c1-4-18(5-2)13(19)9-10-17-14-11(3)7-6-8-12(14)15(16)20/h6-8,17H,4-5,9-10H2,1-3H3,(H2,16,20)
InChIKeyOMHXEORPXPIAIT-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.30
Rot. Bonds7

About 3-(2-carbamothioyl-6-methylanilino)-N,N-diethylpropanamide

3-(2-carbamothioyl-6-methylanilino)-N,N-diethylpropanamide (PubChem CID 107108556) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-(2-carbamothioyl-6-methylanilino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(2-carbamothioyl-6-methylanilino)-N,N-diethylpropanamide
PubChem CID107108556
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name3-(2-carbamothioyl-6-methylanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1c(C)cccc1C(N)=S
InChIInChI=1S/C15H23N3OS/c1-4-18(5-2)13(19)9-10-17-14-11(3)7-6-8-12(14)15(16)20/h6-8,17H,4-5,9-10H2,1-3H3,(H2,16,20)
InChIKeyOMHXEORPXPIAIT-UHFFFAOYSA-N
XLogP2.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-(3-methylbutylamino)benzenecarbothioamide
CID 107107719
N,N-diethyl-3-(2-methylanilino)propanamide
CID 109030597
3-methyl-2-(2-phenylethylamino)benzenecarbothioamide
CID 107107742
2-(2-carbamothioyl-6-methylanilino)-N-methylacetamide
CID 107107850
3-methyl-2-(2-pyrrolidin-1-ylethylamino)benzenecarbothioamide
CID 107108207
2-(2-carbamothioyl-6-methylanilino)-N-propan-2-ylacetamide
CID 107107885
ethyl 2-(2-carbamothioyl-6-methylanilino)propanoate
CID 107108016
3-methyl-2-[(2-methylphenyl)methylamino]benzenecarbothioamide
CID 107107914
3-methyl-2-(methylamino)benzenecarbothioamide
CID 107107657
3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
CID 61102386
2-(2-carbamothioyl-6-methylanilino)-N-(2-methylpropyl)acetamide
CID 107108536
2-[(4-ethylcyclohexyl)methylamino]-3-methylbenzenecarbothioamide
CID 107108151

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbamothioyl-6-methylanilino)-N,N-diethylpropanamide?
The IUPAC name of 3-(2-carbamothioyl-6-methylanilino)-N,N-diethylpropanamide (CID 107108556) is 3-(2-carbamothioyl-6-methylanilino)-N,N-diethylpropanamide.
What is the SMILES notation for 3-(2-carbamothioyl-6-methylanilino)-N,N-diethylpropanamide?
The canonical SMILES for 3-(2-carbamothioyl-6-methylanilino)-N,N-diethylpropanamide is CCN(CC)C(=O)CCNc1c(C)cccc1C(N)=S.
What is the InChIKey of 3-(2-carbamothioyl-6-methylanilino)-N,N-diethylpropanamide?
The InChIKey is OMHXEORPXPIAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-4-18(5-2)13(19)9-10-17-14-11(3)7-6-8-12(14)15(16)20/h6-8,17H,4-5,9-10H2,1-3H3,(H2,16,20).
What are the key properties of 3-(2-carbamothioyl-6-methylanilino)-N,N-diethylpropanamide?
3-(2-carbamothioyl-6-methylanilino)-N,N-diethylpropanamide has a molecular weight of 293.44 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carbamothioyl-6-methylanilino)-N,N-diethylpropanamide is sourced from PubChem (CID 107108556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).