2-(2-carbamothioyl-6-methylanilino)-N-methylacetamide

C11H15N3OS — CID 107107850

IUPAC2-(2-carbamothioyl-6-methylanilino)-N-methylacetamide
SMILESCNC(=O)CNc1c(C)cccc1C(N)=S
InChIInChI=1S/C11H15N3OS/c1-7-4-3-5-8(11(12)16)10(7)14-6-9(15)13-2/h3-5,14H,6H2,1-2H3,(H2,12,16)(H,13,15)
InChIKeyVNUPIMHUKZOMFD-UHFFFAOYSA-N
MW237.33 g/mol
LogP0.79
Rot. Bonds4

About 2-(2-carbamothioyl-6-methylanilino)-N-methylacetamide

2-(2-carbamothioyl-6-methylanilino)-N-methylacetamide (PubChem CID 107107850) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-(2-carbamothioyl-6-methylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-carbamothioyl-6-methylanilino)-N-methylacetamide
PubChem CID107107850
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-(2-carbamothioyl-6-methylanilino)-N-methylacetamide
SMILESCNC(=O)CNc1c(C)cccc1C(N)=S
InChIInChI=1S/C11H15N3OS/c1-7-4-3-5-8(11(12)16)10(7)14-6-9(15)13-2/h3-5,14H,6H2,1-2H3,(H2,12,16)(H,13,15)
InChIKeyVNUPIMHUKZOMFD-UHFFFAOYSA-N
XLogP0.79
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-carbamothioyl-6-methylanilino)-N-propan-2-ylacetamide
CID 107107885
2-(2-carbamothioyl-6-methylanilino)-N-(2-methylpropyl)acetamide
CID 107108536
3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 112578046
3-methyl-2-(methylamino)benzenecarbothioamide
CID 107107657
3-methyl-2-[(2-methylphenyl)methylamino]benzenecarbothioamide
CID 107107914
3-methyl-2-(3-methylbutylamino)benzenecarbothioamide
CID 107107719
ethyl 2-(2-carbamothioyl-6-methylanilino)propanoate
CID 107108016
3-(2-carbamothioyl-6-methylanilino)-N,N-diethylpropanamide
CID 107108556
3-methyl-2-(2-phenylethylamino)benzenecarbothioamide
CID 107107742
2-[(4-bromophenyl)methylamino]-3-methylbenzenecarbothioamide
CID 107107784
2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-3-methylbenzenecarbothioamide
CID 107108304
2-(2-carbamothioyl-6-methyl-N-propylanilino)-N-methylacetamide
CID 107108068

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioyl-6-methylanilino)-N-methylacetamide?
The IUPAC name of 2-(2-carbamothioyl-6-methylanilino)-N-methylacetamide (CID 107107850) is 2-(2-carbamothioyl-6-methylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(2-carbamothioyl-6-methylanilino)-N-methylacetamide?
The canonical SMILES for 2-(2-carbamothioyl-6-methylanilino)-N-methylacetamide is CNC(=O)CNc1c(C)cccc1C(N)=S.
What is the InChIKey of 2-(2-carbamothioyl-6-methylanilino)-N-methylacetamide?
The InChIKey is VNUPIMHUKZOMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-7-4-3-5-8(11(12)16)10(7)14-6-9(15)13-2/h3-5,14H,6H2,1-2H3,(H2,12,16)(H,13,15).
What are the key properties of 2-(2-carbamothioyl-6-methylanilino)-N-methylacetamide?
2-(2-carbamothioyl-6-methylanilino)-N-methylacetamide has a molecular weight of 237.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioyl-6-methylanilino)-N-methylacetamide is sourced from PubChem (CID 107107850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).