N-[(2-methylphenyl)carbamothioyl]acetamide

C10H12N2OS — CID 2791906

IUPACN-[(2-methylphenyl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1ccccc1C
InChIInChI=1S/C10H12N2OS/c1-7-5-3-4-6-9(7)12-10(14)11-8(2)13/h3-6H,1-2H3,(H2,11,12,13,14)
InChIKeyBKZLZUAYGACVIP-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.83
Rot. Bonds1

About N-[(2-methylphenyl)carbamothioyl]acetamide

N-[(2-methylphenyl)carbamothioyl]acetamide (PubChem CID 2791906) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is N-[(2-methylphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)carbamothioyl]acetamide
PubChem CID2791906
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC NameN-[(2-methylphenyl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1ccccc1C
InChIInChI=1S/C10H12N2OS/c1-7-5-3-4-6-9(7)12-10(14)11-8(2)13/h3-6H,1-2H3,(H2,11,12,13,14)
InChIKeyBKZLZUAYGACVIP-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 13109787
N-[(2-methylphenyl)carbamothioyl]propanamide
CID 884642
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304
2-(acetylcarbamothioylamino)-N-tert-butylbenzamide
CID 4936592
N-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide
CID 797213
ethane;1-methyl-3-(2-methylphenyl)thiourea
CID 90811934
N-[(2-methylphenyl)carbamothioyl]-2-[4-[2-[(2-methylphenyl)carbamothioylamino]-2-oxoethoxy]phenoxy]acetamide
CID 3644357
2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide
CID 961010
N-[(2-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 786683
N-[3-(acetylcarbamothioylamino)-2-methylphenyl]propanamide
CID 46760838
N-[4-(acetylcarbamothioylamino)phenyl]-2-methylbenzamide
CID 961064
N-[[2-[acetylcarbamothioyl(methyl)amino]phenyl]carbamothioyl]acetamide
CID 163627003

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)carbamothioyl]acetamide?
The IUPAC name of N-[(2-methylphenyl)carbamothioyl]acetamide (CID 2791906) is N-[(2-methylphenyl)carbamothioyl]acetamide.
What is the SMILES notation for N-[(2-methylphenyl)carbamothioyl]acetamide?
The canonical SMILES for N-[(2-methylphenyl)carbamothioyl]acetamide is CC(=O)NC(=S)Nc1ccccc1C.
What is the InChIKey of N-[(2-methylphenyl)carbamothioyl]acetamide?
The InChIKey is BKZLZUAYGACVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-7-5-3-4-6-9(7)12-10(14)11-8(2)13/h3-6H,1-2H3,(H2,11,12,13,14).
What are the key properties of N-[(2-methylphenyl)carbamothioyl]acetamide?
N-[(2-methylphenyl)carbamothioyl]acetamide has a molecular weight of 208.29 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 2791906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).