2-[3-(diethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C13H24N4OS — CID 3229671

IUPAC2-[3-(diethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCN(CC)CCCNCC(=O)Nc1nc(C)cs1
InChIInChI=1S/C13H24N4OS/c1-4-17(5-2)8-6-7-14-9-12(18)16-13-15-11(3)10-19-13/h10,14H,4-9H2,1-3H3,(H,15,16,18)
InChIKeyBYETZNJWAAKOPL-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.71
Rot. Bonds9

About 2-[3-(diethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[3-(diethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3229671) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-[3-(diethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(diethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID3229671
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name2-[3-(diethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCN(CC)CCCNCC(=O)Nc1nc(C)cs1
InChIInChI=1S/C13H24N4OS/c1-4-17(5-2)8-6-7-14-9-12(18)16-13-15-11(3)10-19-13/h10,14H,4-9H2,1-3H3,(H,15,16,18)
InChIKeyBYETZNJWAAKOPL-UHFFFAOYSA-N
XLogP1.71
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(diethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 3229671) is 2-[3-(diethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(diethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(diethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is CCN(CC)CCCNCC(=O)Nc1nc(C)cs1.
What is the InChIKey of 2-[3-(diethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is BYETZNJWAAKOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-4-17(5-2)8-6-7-14-9-12(18)16-13-15-11(3)10-19-13/h10,14H,4-9H2,1-3H3,(H,15,16,18).
What are the key properties of 2-[3-(diethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[3-(diethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 284.43 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3229671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).