N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide

C12H20N4OS2 — CID 65204124

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCCN(CC(C)C(N)=S)C(=O)c1snnc1C(C)C
InChIInChI=1S/C12H20N4OS2/c1-5-16(6-8(4)11(13)18)12(17)10-9(7(2)3)14-15-19-10/h7-8H,5-6H2,1-4H3,(H2,13,18)
InChIKeyAAOOJTCBDSCYPI-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.05
Rot. Bonds6

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 65204124) has the molecular formula C12H20N4OS2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID65204124
Molecular FormulaC12H20N4OS2
Molecular Weight300.45 g/mol
Exact Mass300.11
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCCN(CC(C)C(N)=S)C(=O)c1snnc1C(C)C
InChIInChI=1S/C12H20N4OS2/c1-5-16(6-8(4)11(13)18)12(17)10-9(7(2)3)14-15-19-10/h7-8H,5-6H2,1-4H3,(H2,13,18)
InChIKeyAAOOJTCBDSCYPI-UHFFFAOYSA-N
XLogP2.05
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide (CID 65204124) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide is CCN(CC(C)C(N)=S)C(=O)c1snnc1C(C)C.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is AAOOJTCBDSCYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS2/c1-5-16(6-8(4)11(13)18)12(17)10-9(7(2)3)14-15-19-10/h7-8H,5-6H2,1-4H3,(H2,13,18).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).