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

C12H21N3O2S — CID 47114435

IUPACN-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCN(CC)CCNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C12H21N3O2S/c1-4-14(5-2)7-6-13-11(16)8-15-10(3)9-18-12(15)17/h9H,4-8H2,1-3H3,(H,13,16)
InChIKeyJAOJBYMZUAEFMK-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.68
Rot. Bonds7

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

N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 47114435) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID47114435
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCN(CC)CCNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C12H21N3O2S/c1-4-14(5-2)7-6-13-11(16)8-15-10(3)9-18-12(15)17/h9H,4-8H2,1-3H3,(H,13,16)
InChIKeyJAOJBYMZUAEFMK-UHFFFAOYSA-N
XLogP0.68
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 4963600
N-(2-methylbutan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 16272650
2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide
CID 71979625
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103862860
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106380838
N-cyclohexyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 4808442
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-sulfanylethyl)acetamide
CID 177680509
2-(4-methyl-2H-1,3-thiazol-3-yl)acetamide
CID 56980528
N-butan-2-yl-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 123213192
2-oxo-N-propan-2-yl-3H-1,3-thiazole-4-carboxamide
CID 123265507
N-ethyl-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 123394572
2-oxo-N-propyl-3H-1,3-thiazole-4-carboxamide
CID 123679448

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 47114435) is N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is CCN(CC)CCNC(=O)Cn1c(C)csc1=O.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is JAOJBYMZUAEFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-14(5-2)7-6-13-11(16)8-15-10(3)9-18-12(15)17/h9H,4-8H2,1-3H3,(H,13,16).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 271.39 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 47114435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).