N-[4-(dimethylaminocarbamothioylamino)anilino]formamide

C10H15N5OS — CID 20566456

IUPACN-[4-(dimethylaminocarbamothioylamino)anilino]formamide
SMILESCN(C)NC(=S)Nc1ccc(NNC=O)cc1
InChIInChI=1S/C10H15N5OS/c1-15(2)14-10(17)12-8-3-5-9(6-4-8)13-11-7-16/h3-7,13H,1-2H3,(H,11,16)(H2,12,14,17)
InChIKeyOTWDIPTYFLKTAB-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.52
Rot. Bonds5

About N-[4-(dimethylaminocarbamothioylamino)anilino]formamide

N-[4-(dimethylaminocarbamothioylamino)anilino]formamide (PubChem CID 20566456) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is N-[4-(dimethylaminocarbamothioylamino)anilino]formamide.

Molecular Properties

Compound NameN-[4-(dimethylaminocarbamothioylamino)anilino]formamide
PubChem CID20566456
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC NameN-[4-(dimethylaminocarbamothioylamino)anilino]formamide
SMILESCN(C)NC(=S)Nc1ccc(NNC=O)cc1
InChIInChI=1S/C10H15N5OS/c1-15(2)14-10(17)12-8-3-5-9(6-4-8)13-11-7-16/h3-7,13H,1-2H3,(H,11,16)(H2,12,14,17)
InChIKeyOTWDIPTYFLKTAB-UHFFFAOYSA-N
XLogP0.52
TPSA68.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylaminocarbamothioylamino)anilino]formamide?
The IUPAC name of N-[4-(dimethylaminocarbamothioylamino)anilino]formamide (CID 20566456) is N-[4-(dimethylaminocarbamothioylamino)anilino]formamide.
What is the SMILES notation for N-[4-(dimethylaminocarbamothioylamino)anilino]formamide?
The canonical SMILES for N-[4-(dimethylaminocarbamothioylamino)anilino]formamide is CN(C)NC(=S)Nc1ccc(NNC=O)cc1.
What is the InChIKey of N-[4-(dimethylaminocarbamothioylamino)anilino]formamide?
The InChIKey is OTWDIPTYFLKTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-15(2)14-10(17)12-8-3-5-9(6-4-8)13-11-7-16/h3-7,13H,1-2H3,(H,11,16)(H2,12,14,17).
What are the key properties of N-[4-(dimethylaminocarbamothioylamino)anilino]formamide?
N-[4-(dimethylaminocarbamothioylamino)anilino]formamide has a molecular weight of 253.33 g/mol, XLogP of 0.52, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylaminocarbamothioylamino)anilino]formamide is sourced from PubChem (CID 20566456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).