N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

C13H21N3O2S — CID 47035836

IUPACN-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CC(=O)NC)C(=O)Cc1csc(C(C)C)n1
InChIInChI=1S/C13H21N3O2S/c1-5-16(7-11(17)14-4)12(18)6-10-8-19-13(15-10)9(2)3/h8-9H,5-7H2,1-4H3,(H,14,17)
InChIKeyVBDAUOZCLVQQAB-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.40
Rot. Bonds6

About N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 47035836) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID47035836
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CC(=O)NC)C(=O)Cc1csc(C(C)C)n1
InChIInChI=1S/C13H21N3O2S/c1-5-16(7-11(17)14-4)12(18)6-10-8-19-13(15-10)9(2)3/h8-9H,5-7H2,1-4H3,(H,14,17)
InChIKeyVBDAUOZCLVQQAB-UHFFFAOYSA-N
XLogP1.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 16188670
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 39632677
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 45813059
N,N-diethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 45819395
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 45887778
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47031356
N-(4-oxo-1H-pyridin-3-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47261393
2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide
CID 50983544
N-(1-acetylpiperidin-4-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 53554580
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(1-methylpiperidin-4-yl)acetamide
CID 53557253
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(4-oxo-1H-pyridin-3-yl)acetamide
CID 53561293
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(1-cyclopropylpyrrolidin-3-yl)acetamide
CID 53568710

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (CID 47035836) is N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is CCN(CC(=O)NC)C(=O)Cc1csc(C(C)C)n1.
What is the InChIKey of N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is VBDAUOZCLVQQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-5-16(7-11(17)14-4)12(18)6-10-8-19-13(15-10)9(2)3/h8-9H,5-7H2,1-4H3,(H,14,17).
What are the key properties of N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 283.40 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 47035836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).