N-(ethylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide

C13H22N4O2S — CID 71986460

IUPACN-(ethylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide
SMILESCCNC(=O)NC(=O)CNC(C)(CC)c1nc(C)cs1
InChIInChI=1S/C13H22N4O2S/c1-5-13(4,11-16-9(3)8-20-11)15-7-10(18)17-12(19)14-6-2/h8,15H,5-7H2,1-4H3,(H2,14,17,18,19)
InChIKeyJGNQMYKYRRGTJG-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.51
Rot. Bonds6

About N-(ethylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide

N-(ethylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide (PubChem CID 71986460) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide
PubChem CID71986460
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-(ethylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide
SMILESCCNC(=O)NC(=O)CNC(C)(CC)c1nc(C)cs1
InChIInChI=1S/C13H22N4O2S/c1-5-13(4,11-16-9(3)8-20-11)15-7-10(18)17-12(19)14-6-2/h8,15H,5-7H2,1-4H3,(H2,14,17,18,19)
InChIKeyJGNQMYKYRRGTJG-UHFFFAOYSA-N
XLogP1.51
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide (CID 71986460) is N-(ethylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide is CCNC(=O)NC(=O)CNC(C)(CC)c1nc(C)cs1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
The InChIKey is JGNQMYKYRRGTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-5-13(4,11-16-9(3)8-20-11)15-7-10(18)17-12(19)14-6-2/h8,15H,5-7H2,1-4H3,(H2,14,17,18,19).
What are the key properties of N-(ethylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
N-(ethylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide has a molecular weight of 298.41 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide is sourced from PubChem (CID 71986460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).