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

C13H24N4OS — CID 3076721

IUPAC2-(dipropylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CN(CCC)CCC)s1
InChIInChI=1S/C13H24N4OS/c1-4-7-12-15-16-13(19-12)14-11(18)10-17(8-5-2)9-6-3/h4-10H2,1-3H3,(H,14,16,18)
InChIKeyFJLMBOBVBQYDPF-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.55
Rot. Bonds9

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

2-(dipropylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3076721) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-(dipropylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(dipropylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3076721
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name2-(dipropylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CN(CCC)CCC)s1
InChIInChI=1S/C13H24N4OS/c1-4-7-12-15-16-13(19-12)14-11(18)10-17(8-5-2)9-6-3/h4-10H2,1-3H3,(H,14,16,18)
InChIKeyFJLMBOBVBQYDPF-UHFFFAOYSA-N
XLogP2.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.55
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-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(dipropylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 3076721) is 2-(dipropylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(dipropylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(dipropylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)CN(CCC)CCC)s1.
What is the InChIKey of 2-(dipropylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is FJLMBOBVBQYDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-4-7-12-15-16-13(19-12)14-11(18)10-17(8-5-2)9-6-3/h4-10H2,1-3H3,(H,14,16,18).
What are the key properties of 2-(dipropylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(dipropylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 284.43 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3076721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).