N-[[amino(propan-2-yl)amino]-(hydroxyamino)methylidene]ethanethioamide

C6H14N4OS — CID 144561814

IUPACN-[[amino(propan-2-yl)amino]-(hydroxyamino)methylidene]ethanethioamide
SMILESCC(=S)/N=C(\NO)N(N)C(C)C
InChIInChI=1S/C6H14N4OS/c1-4(2)10(7)6(9-11)8-5(3)12/h4,11H,7H2,1-3H3,(H,8,9,12)
InChIKeyHXQZNFBCARSYBC-UHFFFAOYSA-N
MW190.27 g/mol
LogP0.25
Rot. Bonds1

About N-[[amino(propan-2-yl)amino]-(hydroxyamino)methylidene]ethanethioamide

N-[[amino(propan-2-yl)amino]-(hydroxyamino)methylidene]ethanethioamide (PubChem CID 144561814) has the molecular formula C6H14N4OS and a molecular weight of 190.27 g/mol. Its IUPAC name is N-[[amino(propan-2-yl)amino]-(hydroxyamino)methylidene]ethanethioamide.

Molecular Properties

Compound NameN-[[amino(propan-2-yl)amino]-(hydroxyamino)methylidene]ethanethioamide
PubChem CID144561814
Molecular FormulaC6H14N4OS
Molecular Weight190.27 g/mol
Exact Mass190.09
IUPAC NameN-[[amino(propan-2-yl)amino]-(hydroxyamino)methylidene]ethanethioamide
SMILESCC(=S)/N=C(\NO)N(N)C(C)C
InChIInChI=1S/C6H14N4OS/c1-4(2)10(7)6(9-11)8-5(3)12/h4,11H,7H2,1-3H3,(H,8,9,12)
InChIKeyHXQZNFBCARSYBC-UHFFFAOYSA-N
XLogP0.25
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.25
H-Bond Donors ≤ 53
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(propan-2-yl)amino]-(hydroxyamino)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(propyl)amino]-2H-1,2,4-oxadiazole-5-thione
CID 90063583
3-[amino(propan-2-yl)amino]-2H-1,2,4-oxadiazole-5-thione
CID 90063757
3-[amino(ethyl)amino]-2H-1,2,4-oxadiazole-5-thione
CID 90063944
(E)-[amino-[amino(propan-2-yl)amino]methylidene]thiourea
CID 144561833

Frequently Asked Questions

What is the IUPAC name of N-[[amino(propan-2-yl)amino]-(hydroxyamino)methylidene]ethanethioamide?
The IUPAC name of N-[[amino(propan-2-yl)amino]-(hydroxyamino)methylidene]ethanethioamide (CID 144561814) is N-[[amino(propan-2-yl)amino]-(hydroxyamino)methylidene]ethanethioamide.
What is the SMILES notation for N-[[amino(propan-2-yl)amino]-(hydroxyamino)methylidene]ethanethioamide?
The canonical SMILES for N-[[amino(propan-2-yl)amino]-(hydroxyamino)methylidene]ethanethioamide is CC(=S)/N=C(\NO)N(N)C(C)C.
What is the InChIKey of N-[[amino(propan-2-yl)amino]-(hydroxyamino)methylidene]ethanethioamide?
The InChIKey is HXQZNFBCARSYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4OS/c1-4(2)10(7)6(9-11)8-5(3)12/h4,11H,7H2,1-3H3,(H,8,9,12).
What are the key properties of N-[[amino(propan-2-yl)amino]-(hydroxyamino)methylidene]ethanethioamide?
N-[[amino(propan-2-yl)amino]-(hydroxyamino)methylidene]ethanethioamide has a molecular weight of 190.27 g/mol, XLogP of 0.25, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[amino(propan-2-yl)amino]-(hydroxyamino)methylidene]ethanethioamide is sourced from PubChem (CID 144561814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).