N-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide

C13H23N3OS — CID 91484769

IUPACN-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CC)CCNC(=O)Cc1nc(C)sc1C
InChIInChI=1S/C13H23N3OS/c1-5-16(6-2)8-7-14-13(17)9-12-10(3)18-11(4)15-12/h5-9H2,1-4H3,(H,14,17)
InChIKeySVWXERLXFLHPDJ-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.76
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide

N-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide (PubChem CID 91484769) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
PubChem CID91484769
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CC)CCNC(=O)Cc1nc(C)sc1C
InChIInChI=1S/C13H23N3OS/c1-5-16(6-2)8-7-14-13(17)9-12-10(3)18-11(4)15-12/h5-9H2,1-4H3,(H,14,17)
InChIKeySVWXERLXFLHPDJ-UHFFFAOYSA-N
XLogP1.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide (CID 91484769) is N-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide is CCN(CC)CCNC(=O)Cc1nc(C)sc1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is SVWXERLXFLHPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-5-16(6-2)8-7-14-13(17)9-12-10(3)18-11(4)15-12/h5-9H2,1-4H3,(H,14,17).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
N-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 269.41 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 91484769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).