N-(3-amino-3-sulfanylidenepropyl)-4-ethyl-N-(2-methylpropyl)thiadiazole-5-carboxamide

C12H20N4OS2 — CID 65205682

IUPACN-(3-amino-3-sulfanylidenepropyl)-4-ethyl-N-(2-methylpropyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(CCC(N)=S)CC(C)C
InChIInChI=1S/C12H20N4OS2/c1-4-9-11(19-15-14-9)12(17)16(7-8(2)3)6-5-10(13)18/h8H,4-7H2,1-3H3,(H2,13,18)
InChIKeyQSVNIKWQKADLNF-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.87
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-4-ethyl-N-(2-methylpropyl)thiadiazole-5-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-4-ethyl-N-(2-methylpropyl)thiadiazole-5-carboxamide (PubChem CID 65205682) has the molecular formula C12H20N4OS2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-4-ethyl-N-(2-methylpropyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-4-ethyl-N-(2-methylpropyl)thiadiazole-5-carboxamide
PubChem CID65205682
Molecular FormulaC12H20N4OS2
Molecular Weight300.45 g/mol
Exact Mass300.11
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-4-ethyl-N-(2-methylpropyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(CCC(N)=S)CC(C)C
InChIInChI=1S/C12H20N4OS2/c1-4-9-11(19-15-14-9)12(17)16(7-8(2)3)6-5-10(13)18/h8H,4-7H2,1-3H3,(H2,13,18)
InChIKeyQSVNIKWQKADLNF-UHFFFAOYSA-N
XLogP1.87
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-4-ethyl-N-(2-methylpropyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-4-ethyl-N-(2-methylpropyl)thiadiazole-5-carboxamide (CID 65205682) is N-(3-amino-3-sulfanylidenepropyl)-4-ethyl-N-(2-methylpropyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-4-ethyl-N-(2-methylpropyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-4-ethyl-N-(2-methylpropyl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)N(CCC(N)=S)CC(C)C.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-4-ethyl-N-(2-methylpropyl)thiadiazole-5-carboxamide?
The InChIKey is QSVNIKWQKADLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS2/c1-4-9-11(19-15-14-9)12(17)16(7-8(2)3)6-5-10(13)18/h8H,4-7H2,1-3H3,(H2,13,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-4-ethyl-N-(2-methylpropyl)thiadiazole-5-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-4-ethyl-N-(2-methylpropyl)thiadiazole-5-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-4-ethyl-N-(2-methylpropyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 65205682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).