N-[amino-[amino-[2-(dimethylamino)ethyl]amino]methylidene]ethanethioamide

C7H17N5S — CID 144561942

IUPACN-[amino-[amino-[2-(dimethylamino)ethyl]amino]methylidene]ethanethioamide
SMILESCC(=S)/N=C(\N)N(N)CCN(C)C
InChIInChI=1S/C7H17N5S/c1-6(13)10-7(8)12(9)5-4-11(2)3/h4-5,9H2,1-3H3,(H2,8,10,13)
InChIKeyHTDAWCFXRWHXJL-UHFFFAOYSA-N
MW203.31 g/mol
LogP-0.61
Rot. Bonds3

About N-[amino-[amino-[2-(dimethylamino)ethyl]amino]methylidene]ethanethioamide

N-[amino-[amino-[2-(dimethylamino)ethyl]amino]methylidene]ethanethioamide (PubChem CID 144561942) has the molecular formula C7H17N5S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-[amino-[amino-[2-(dimethylamino)ethyl]amino]methylidene]ethanethioamide.

Molecular Properties

Compound NameN-[amino-[amino-[2-(dimethylamino)ethyl]amino]methylidene]ethanethioamide
PubChem CID144561942
Molecular FormulaC7H17N5S
Molecular Weight203.31 g/mol
Exact Mass203.12
IUPAC NameN-[amino-[amino-[2-(dimethylamino)ethyl]amino]methylidene]ethanethioamide
SMILESCC(=S)/N=C(\N)N(N)CCN(C)C
InChIInChI=1S/C7H17N5S/c1-6(13)10-7(8)12(9)5-4-11(2)3/h4-5,9H2,1-3H3,(H2,8,10,13)
InChIKeyHTDAWCFXRWHXJL-UHFFFAOYSA-N
XLogP-0.61
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[amino-[amino-[2-(dimethylamino)ethyl]amino]methylidene]ethanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[amino-[2-(dimethylamino)ethyl]amino]-2H-1,2,4-oxadiazole-5-thione
CID 90063879
5-[Amino-[2-(dimethylamino)ethyl]amino]-1,2-dihydro-1,2,4-triazole-3-thione
CID 90063894
1-Amino-3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]guanidine
CID 144561900
1-[Amino-[amino-[2-(methylamino)ethyl]amino]methylidene]-3-methylthiourea
CID 173886890

Frequently Asked Questions

What is the IUPAC name of N-[amino-[amino-[2-(dimethylamino)ethyl]amino]methylidene]ethanethioamide?
The IUPAC name of N-[amino-[amino-[2-(dimethylamino)ethyl]amino]methylidene]ethanethioamide (CID 144561942) is N-[amino-[amino-[2-(dimethylamino)ethyl]amino]methylidene]ethanethioamide.
What is the SMILES notation for N-[amino-[amino-[2-(dimethylamino)ethyl]amino]methylidene]ethanethioamide?
The canonical SMILES for N-[amino-[amino-[2-(dimethylamino)ethyl]amino]methylidene]ethanethioamide is CC(=S)/N=C(\N)N(N)CCN(C)C.
What is the InChIKey of N-[amino-[amino-[2-(dimethylamino)ethyl]amino]methylidene]ethanethioamide?
The InChIKey is HTDAWCFXRWHXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5S/c1-6(13)10-7(8)12(9)5-4-11(2)3/h4-5,9H2,1-3H3,(H2,8,10,13).
What are the key properties of N-[amino-[amino-[2-(dimethylamino)ethyl]amino]methylidene]ethanethioamide?
N-[amino-[amino-[2-(dimethylamino)ethyl]amino]methylidene]ethanethioamide has a molecular weight of 203.31 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[amino-[2-(dimethylamino)ethyl]amino]methylidene]ethanethioamide is sourced from PubChem (CID 144561942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).