N-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide

C13H21N3O3S — CID 87042035

IUPACN-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide
SMILESCCC(C)NC(=O)CCNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C13H21N3O3S/c1-4-9(2)15-11(17)5-6-14-12(18)7-16-10(3)8-20-13(16)19/h8-9H,4-7H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyNPUHXQHSXRLHSQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.64
Rot. Bonds7

About N-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide

N-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide (PubChem CID 87042035) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide
PubChem CID87042035
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide
SMILESCCC(C)NC(=O)CCNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C13H21N3O3S/c1-4-9(2)15-11(17)5-6-14-12(18)7-16-10(3)8-20-13(16)19/h8-9H,4-7H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyNPUHXQHSXRLHSQ-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-3-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzamide
CID 86996215
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914378
N-(1-hydroxypropan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 110887361
2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 43355368
2-methyl-6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]heptanoic acid
CID 65286010
N-[(2R)-1-hydroxypropan-2-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 79027328
tert-butyl N-[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]ethyl]carbamate
CID 86853820
N-(2-hydroxy-2-methylpropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65109590
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 17471212
(2S)-3-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 61137861
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 103843795
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenylpropyl)acetamide
CID 27667764

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide (CID 87042035) is N-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide is CCC(C)NC(=O)CCNC(=O)Cn1c(C)csc1=O.
What is the InChIKey of N-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide?
The InChIKey is NPUHXQHSXRLHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-9(2)15-11(17)5-6-14-12(18)7-16-10(3)8-20-13(16)19/h8-9H,4-7H2,1-3H3,(H,14,18)(H,15,17).
What are the key properties of N-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide?
N-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide has a molecular weight of 299.40 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide is sourced from PubChem (CID 87042035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).