N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide

C8H13N3OS — CID 745391

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
SMILESCCc1nnc(NC(=O)C(C)C)s1
InChIInChI=1S/C8H13N3OS/c1-4-6-10-11-8(13-6)9-7(12)5(2)3/h5H,4H2,1-3H3,(H,9,11,12)
InChIKeyVHMUPKVOVMAYGT-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.70
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide (PubChem CID 745391) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
PubChem CID745391
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
SMILESCCc1nnc(NC(=O)C(C)C)s1
InChIInChI=1S/C8H13N3OS/c1-4-6-10-11-8(13-6)9-7(12)5(2)3/h5H,4H2,1-3H3,(H,9,11,12)
InChIKeyVHMUPKVOVMAYGT-UHFFFAOYSA-N
XLogP1.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide (CID 745391) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide is CCc1nnc(NC(=O)C(C)C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide?
The InChIKey is VHMUPKVOVMAYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-4-6-10-11-8(13-6)9-7(12)5(2)3/h5H,4H2,1-3H3,(H,9,11,12).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide has a molecular weight of 199.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 745391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).