2-(dimethylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

C9H16N4OS — CID 3076716

IUPAC2-(dimethylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CN(C)C)s1
InChIInChI=1S/C9H16N4OS/c1-4-5-8-11-12-9(15-8)10-7(14)6-13(2)3/h4-6H2,1-3H3,(H,10,12,14)
InChIKeyKWLTXQCZHXBOHM-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.99
Rot. Bonds5

About 2-(dimethylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

2-(dimethylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3076716) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3076716
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name2-(dimethylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CN(C)C)s1
InChIInChI=1S/C9H16N4OS/c1-4-5-8-11-12-9(15-8)10-7(14)6-13(2)3/h4-6H2,1-3H3,(H,10,12,14)
InChIKeyKWLTXQCZHXBOHM-UHFFFAOYSA-N
XLogP0.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 3076716) is 2-(dimethylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)CN(C)C)s1.
What is the InChIKey of 2-(dimethylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is KWLTXQCZHXBOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-4-5-8-11-12-9(15-8)10-7(14)6-13(2)3/h4-6H2,1-3H3,(H,10,12,14).
What are the key properties of 2-(dimethylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(dimethylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 228.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3076716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).