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

C9H15N3O2S — CID 106381194

IUPAC3-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
SMILESCC(C)(N)CC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O2S/c1-9(2,10)3-7(13)11-4-6-5-15-8(14)12-6/h5H,3-4,10H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyRRBRWVGBXFRXMW-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.18
Rot. Bonds4

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

3-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide (PubChem CID 106381194) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
PubChem CID106381194
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name3-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
SMILESCC(C)(N)CC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O2S/c1-9(2,10)3-7(13)11-4-6-5-15-8(14)12-6/h5H,3-4,10H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyRRBRWVGBXFRXMW-UHFFFAOYSA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 106381292
N-(2,3-dihydro-1,3-thiazol-4-ylmethyl)-N-methylpropanamide
CID 129309953
2-methyl-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]propanamide
CID 31012397
N-[2-(tert-butylamino)-2-oxoethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 31715854
N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 31715862
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 35362291
N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 39467035
N-(2-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 46419922
N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 47116325
4-Methyl-3-[4-oxo-4-(5-oxo-1,4-diazepan-1-yl)butyl]-1,3-thiazol-2-one
CID 62046085
2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775034
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The IUPAC name of 3-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide (CID 106381194) is 3-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The canonical SMILES for 3-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide is CC(C)(N)CC(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 3-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The InChIKey is RRBRWVGBXFRXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-9(2,10)3-7(13)11-4-6-5-15-8(14)12-6/h5H,3-4,10H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of 3-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
3-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide has a molecular weight of 229.30 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide is sourced from PubChem (CID 106381194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).