N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C13H21N3O3S — CID 31715862

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C13H21N3O3S/c1-9-8-20-12(19)16(9)6-5-10(17)14-7-11(18)15-13(2,3)4/h8H,5-7H2,1-4H3,(H,14,17)(H,15,18)
InChIKeyBLRZBMVIJNQEQY-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.64
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 31715862) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID31715862
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C13H21N3O3S/c1-9-8-20-12(19)16(9)6-5-10(17)14-7-11(18)15-13(2,3)4/h8H,5-7H2,1-4H3,(H,14,17)(H,15,18)
InChIKeyBLRZBMVIJNQEQY-UHFFFAOYSA-N
XLogP0.64
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 31715862) is N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)NCC(=O)NC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is BLRZBMVIJNQEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9-8-20-12(19)16(9)6-5-10(17)14-7-11(18)15-13(2,3)4/h8H,5-7H2,1-4H3,(H,14,17)(H,15,18).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 299.40 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 31715862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).