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

C12H22N4OS — CID 3076720

IUPAC2-(dipropylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCN(CCC)CC(=O)Nc1nnc(CC)s1
InChIInChI=1S/C12H22N4OS/c1-4-7-16(8-5-2)9-10(17)13-12-15-14-11(6-3)18-12/h4-9H2,1-3H3,(H,13,15,17)
InChIKeyVETLEZWMIFKCMA-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.16
Rot. Bonds8

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

2-(dipropylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3076720) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(dipropylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(dipropylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3076720
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name2-(dipropylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCN(CCC)CC(=O)Nc1nnc(CC)s1
InChIInChI=1S/C12H22N4OS/c1-4-7-16(8-5-2)9-10(17)13-12-15-14-11(6-3)18-12/h4-9H2,1-3H3,(H,13,15,17)
InChIKeyVETLEZWMIFKCMA-UHFFFAOYSA-N
XLogP2.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(dipropylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 3076720) is 2-(dipropylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(dipropylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(dipropylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCCN(CCC)CC(=O)Nc1nnc(CC)s1.
What is the InChIKey of 2-(dipropylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is VETLEZWMIFKCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-4-7-16(8-5-2)9-10(17)13-12-15-14-11(6-3)18-12/h4-9H2,1-3H3,(H,13,15,17).
What are the key properties of 2-(dipropylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(dipropylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 270.40 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3076720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).