2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-propylacetamide

C13H24N4OS — CID 43777783

IUPAC2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cnc(N(CC)CC)s1
InChIInChI=1S/C13H24N4OS/c1-4-7-15-12(18)10-14-8-11-9-16-13(19-11)17(5-2)6-3/h9,14H,4-8,10H2,1-3H3,(H,15,18)
InChIKeyCHPUEAMELMQUBZ-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.61
Rot. Bonds9

About 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-propylacetamide

2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-propylacetamide (PubChem CID 43777783) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-propylacetamide
PubChem CID43777783
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cnc(N(CC)CC)s1
InChIInChI=1S/C13H24N4OS/c1-4-7-15-12(18)10-14-8-11-9-16-13(19-11)17(5-2)6-3/h9,14H,4-8,10H2,1-3H3,(H,15,18)
InChIKeyCHPUEAMELMQUBZ-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-propylacetamide (CID 43777783) is 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-propylacetamide is CCCNC(=O)CNCc1cnc(N(CC)CC)s1.
What is the InChIKey of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-propylacetamide?
The InChIKey is CHPUEAMELMQUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-4-7-15-12(18)10-14-8-11-9-16-13(19-11)17(5-2)6-3/h9,14H,4-8,10H2,1-3H3,(H,15,18).
What are the key properties of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-propylacetamide?
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-propylacetamide has a molecular weight of 284.43 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-propylacetamide is sourced from PubChem (CID 43777783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).