2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide

C10H16N4OS — CID 78820861

IUPAC2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESC=C(C)CN(CC)CC(=O)Nc1nncs1
InChIInChI=1S/C10H16N4OS/c1-4-14(5-8(2)3)6-9(15)12-10-13-11-7-16-10/h7H,2,4-6H2,1,3H3,(H,12,13,15)
InChIKeyUCIVNRNSPOIDMJ-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.37
Rot. Bonds6

About 2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 78820861) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID78820861
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESC=C(C)CN(CC)CC(=O)Nc1nncs1
InChIInChI=1S/C10H16N4OS/c1-4-14(5-8(2)3)6-9(15)12-10-13-11-7-16-10/h7H,2,4-6H2,1,3H3,(H,12,13,15)
InChIKeyUCIVNRNSPOIDMJ-UHFFFAOYSA-N
XLogP1.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 78820861) is 2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide is C=C(C)CN(CC)CC(=O)Nc1nncs1.
What is the InChIKey of 2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is UCIVNRNSPOIDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-4-14(5-8(2)3)6-9(15)12-10-13-11-7-16-10/h7H,2,4-6H2,1,3H3,(H,12,13,15).
What are the key properties of 2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 240.33 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 78820861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).