3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide

C9H15N3O2S — CID 106381151

IUPAC3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
SMILESCC(N)C(C)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O2S/c1-5(6(2)10)8(13)11-3-7-4-15-9(14)12-7/h4-6H,3,10H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyOQRMMKQGLNABHM-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.04
Rot. Bonds4

About 3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide

3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide (PubChem CID 106381151) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
PubChem CID106381151
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
SMILESCC(N)C(C)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O2S/c1-5(6(2)10)8(13)11-3-7-4-15-9(14)12-7/h4-6H,3,10H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyOQRMMKQGLNABHM-UHFFFAOYSA-N
XLogP0.04
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(2R)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 25401106
N-[(2R)-3-methylbutan-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 25980907
N-[(2S)-3-methylbutan-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 25980908
2-methyl-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]propanamide
CID 31012397
N-[(1R)-1-cyclopropylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 32893207
N-[(1S)-1-cyclopropylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 32893210
N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 39467035
N-[(2S)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 41090948
N-(1-cyclopropylethyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 45796609
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 83633696

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The IUPAC name of 3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide (CID 106381151) is 3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The canonical SMILES for 3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide is CC(N)C(C)C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The InChIKey is OQRMMKQGLNABHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-5(6(2)10)8(13)11-3-7-4-15-9(14)12-7/h4-6H,3,10H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of 3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide has a molecular weight of 229.30 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide is sourced from PubChem (CID 106381151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).