4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide

C13H19N3OS — CID 82939675

IUPAC4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide
SMILESCC(CN(C)C)NC(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C13H19N3OS/c1-9(8-16(2)3)15-13(17)11-6-4-10(5-7-11)12(14)18/h4-7,9H,8H2,1-3H3,(H2,14,18)(H,15,17)
InChIKeyLBWWALCUHMINGN-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.00
Rot. Bonds5

About 4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide

4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide (PubChem CID 82939675) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide
PubChem CID82939675
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide
SMILESCC(CN(C)C)NC(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C13H19N3OS/c1-9(8-16(2)3)15-13(17)11-6-4-10(5-7-11)12(14)18/h4-7,9H,8H2,1-3H3,(H2,14,18)(H,15,17)
InChIKeyLBWWALCUHMINGN-UHFFFAOYSA-N
XLogP1.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.00
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

5-[4-[[(2R)-1-(dimethylamino)propan-2-yl]carbamoyl]phenyl]-2-fluorobenzamide
CID 125445265
(E)-3-[4-[1-(dimethylamino)propan-2-ylcarbamoyl]phenyl]prop-2-enoic acid
CID 82949775
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 82945495
N-[(2R)-1-(dimethylamino)propan-2-yl]-6-propan-2-ylpyridine-3-carboxamide
CID 59987604
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide
CID 82945494
4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61470814
4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide
CID 24701967
4-(dimethylaminocarbamoyl)benzenecarbothioamide
CID 83016264
4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499910
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 107999622
3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 107953084
4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 54963307

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide?
The IUPAC name of 4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide (CID 82939675) is 4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide.
What is the SMILES notation for 4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide?
The canonical SMILES for 4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide is CC(CN(C)C)NC(=O)c1ccc(C(N)=S)cc1.
What is the InChIKey of 4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide?
The InChIKey is LBWWALCUHMINGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9(8-16(2)3)15-13(17)11-6-4-10(5-7-11)12(14)18/h4-7,9H,8H2,1-3H3,(H2,14,18)(H,15,17).
What are the key properties of 4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide?
4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide has a molecular weight of 265.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide is sourced from PubChem (CID 82939675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).