N-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide

C11H16N4OS — CID 169356675

IUPACN-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1cccc(NC(N)=S)c1
InChIInChI=1S/C11H16N4OS/c1-15(2)7-10(16)13-8-4-3-5-9(6-8)14-11(12)17/h3-6H,7H2,1-2H3,(H,13,16)(H3,12,14,17)
InChIKeyFQVIFQKEJYVLRZ-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.84
Rot. Bonds4

About N-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide

N-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide (PubChem CID 169356675) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide
PubChem CID169356675
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1cccc(NC(N)=S)c1
InChIInChI=1S/C11H16N4OS/c1-15(2)7-10(16)13-8-4-3-5-9(6-8)14-11(12)17/h3-6H,7H2,1-2H3,(H,13,16)(H3,12,14,17)
InChIKeyFQVIFQKEJYVLRZ-UHFFFAOYSA-N
XLogP0.84
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.84
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

N-[3-(carbamothioylamino)-4-methylphenyl]-2-(dimethylamino)acetamide
CID 169356345
2-(dimethylamino)-N-(3-hydroxyphenyl)acetamide
CID 103846180
N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-(dimethylamino)acetamide
CID 168602315
ethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride
CID 70000675
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
3-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]-5-methoxybenzoic acid
CID 131948960
(2R)-2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]butanamide
CID 131922859
2-(dimethylamino)-N-(3-propoxyphenyl)acetamide
CID 54843924
2-[butan-2-yl(methyl)amino]-N-(3-carbamothioylphenyl)acetamide
CID 43272948
N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 67315900
N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 154912466
N-[3-(carbamothioylamino)phenyl]-3-methylbenzamide
CID 169358288

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide (CID 169356675) is N-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1cccc(NC(N)=S)c1.
What is the InChIKey of N-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide?
The InChIKey is FQVIFQKEJYVLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-15(2)7-10(16)13-8-4-3-5-9(6-8)14-11(12)17/h3-6H,7H2,1-2H3,(H,13,16)(H3,12,14,17).
What are the key properties of N-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide?
N-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide has a molecular weight of 252.34 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 169356675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).