4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide

C12H17N3OS — CID 24701967

IUPAC4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C12H17N3OS/c1-15(2)8-7-14-12(16)10-5-3-9(4-6-10)11(13)17/h3-6H,7-8H2,1-2H3,(H2,13,17)(H,14,16)
InChIKeyMFYSMFHSRBABGG-UHFFFAOYSA-N
MW251.36 g/mol
LogP0.61
Rot. Bonds5

About 4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide

4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 24701967) has the molecular formula C12H17N3OS and a molecular weight of 251.36 g/mol. Its IUPAC name is 4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID24701967
Molecular FormulaC12H17N3OS
Molecular Weight251.36 g/mol
Exact Mass251.11
IUPAC Name4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C12H17N3OS/c1-15(2)8-7-14-12(16)10-5-3-9(4-6-10)11(13)17/h3-6H,7-8H2,1-2H3,(H2,13,17)(H,14,16)
InChIKeyMFYSMFHSRBABGG-UHFFFAOYSA-N
XLogP0.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 50.61
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

N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
CID 107019569
4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide
CID 24690011
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N-[3-(dimethylamino)propyl]-4-fluorobenzamide
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4-(dimethylaminocarbamoyl)benzenecarbothioamide
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2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 63613701
N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 110764850
4-bromo-N-[2-(dimethylamino)ethylcarbamothioyl]benzamide
CID 54791375
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045756
N-[2-(dimethylamino)ethyl]-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60816514
4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 82939675
1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109045710

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide (CID 24701967) is 4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCNC(=O)c1ccc(C(N)=S)cc1.
What is the InChIKey of 4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is MFYSMFHSRBABGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-15(2)8-7-14-12(16)10-5-3-9(4-6-10)11(13)17/h3-6H,7-8H2,1-2H3,(H2,13,17)(H,14,16).
What are the key properties of 4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide?
4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 251.36 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 24701967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).