N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxyacetamide

C11H19N3O2S — CID 19258312

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxyacetamide
SMILESCC(C)Cc1nnc(NC(=O)COC(C)C)s1
InChIInChI=1S/C11H19N3O2S/c1-7(2)5-10-13-14-11(17-10)12-9(15)6-16-8(3)4/h7-8H,5-6H2,1-4H3,(H,12,14,15)
InChIKeyHPFJHGXWXVDFKF-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.10
Rot. Bonds6

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxyacetamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxyacetamide (PubChem CID 19258312) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxyacetamide
PubChem CID19258312
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxyacetamide
SMILESCC(C)Cc1nnc(NC(=O)COC(C)C)s1
InChIInChI=1S/C11H19N3O2S/c1-7(2)5-10-13-14-11(17-10)12-9(15)6-16-8(3)4/h7-8H,5-6H2,1-4H3,(H,12,14,15)
InChIKeyHPFJHGXWXVDFKF-UHFFFAOYSA-N
XLogP2.10
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxyacetamide (CID 19258312) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxyacetamide is CC(C)Cc1nnc(NC(=O)COC(C)C)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxyacetamide?
The InChIKey is HPFJHGXWXVDFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-7(2)5-10-13-14-11(17-10)12-9(15)6-16-8(3)4/h7-8H,5-6H2,1-4H3,(H,12,14,15).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxyacetamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxyacetamide has a molecular weight of 257.36 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 19258312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).