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

C13H21N3O3S — CID 31012397

IUPAC2-methyl-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]propanamide
SMILESCc1csc(=O)n1CCC(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C13H21N3O3S/c1-9(2)12(18)15-6-5-14-11(17)4-7-16-10(3)8-20-13(16)19/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyAGBKYOMIKWKEBK-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.50
Rot. Bonds7

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

2-methyl-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]propanamide (PubChem CID 31012397) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-methyl-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]propanamide
PubChem CID31012397
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-methyl-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]propanamide
SMILESCc1csc(=O)n1CCC(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C13H21N3O3S/c1-9(2)12(18)15-6-5-14-11(17)4-7-16-10(3)8-20-13(16)19/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyAGBKYOMIKWKEBK-UHFFFAOYSA-N
XLogP0.50
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylbutan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 16272650
N-(3-amino-2,2-difluoropropyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride
CID 120408369
N-(3-amino-2,2-difluoropropyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 120408370
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 133865230
N-(2,3-dihydro-1,3-thiazol-4-ylmethyl)-N-methylpropanamide
CID 129309953
(2R)-3-(2-amino-2-oxoethyl)sulfanyl-N-(2-aminoprop-2-enyl)-2-methylpropanamide
CID 170413285
n-Isobutyl-2-(4-methyl-2-oxothiazol-3(2h)-yl)acetamide
CID 16381129
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-pentan-3-ylacetamide
CID 16384335
N-(3-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 17402743
N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 17461015
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18118143
N-ethyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetamide
CID 18145744

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]propanamide (CID 31012397) is 2-methyl-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]propanamide is Cc1csc(=O)n1CCC(=O)NCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]propanamide?
The InChIKey is AGBKYOMIKWKEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9(2)12(18)15-6-5-14-11(17)4-7-16-10(3)8-20-13(16)19/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of 2-methyl-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]propanamide?
2-methyl-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]propanamide has a molecular weight of 299.40 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]propanamide is sourced from PubChem (CID 31012397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).