3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide

C9H15N3OS — CID 106096039

IUPAC3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide
SMILESCC(C)(CC(N)=O)NCc1cncs1
InChIInChI=1S/C9H15N3OS/c1-9(2,3-8(10)13)12-5-7-4-11-6-14-7/h4,6,12H,3,5H2,1-2H3,(H2,10,13)
InChIKeyGEUJVKUBRSPZOQ-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.89
Rot. Bonds5

About 3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide

3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide (PubChem CID 106096039) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide.

Molecular Properties

Compound Name3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide
PubChem CID106096039
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide
SMILESCC(C)(CC(N)=O)NCc1cncs1
InChIInChI=1S/C9H15N3OS/c1-9(2,3-8(10)13)12-5-7-4-11-6-14-7/h4,6,12H,3,5H2,1-2H3,(H2,10,13)
InChIKeyGEUJVKUBRSPZOQ-UHFFFAOYSA-N
XLogP0.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 106096010
3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide
CID 103529899
3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol
CID 115866557
3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide
CID 104580210
4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 112642314
3-methyl-3-[(5-nitrothiophen-2-yl)methylamino]butanamide
CID 106095988
2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
CID 115732424
4-(1,3-thiazol-5-yl)butanamide
CID 66579232
N-tert-butyl-2-(1,3-thiazol-5-ylmethylamino)acetamide
CID 81422252
3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide
CID 104666922
2-methyl-3-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62758134
5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106965416

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide?
The IUPAC name of 3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide (CID 106096039) is 3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide.
What is the SMILES notation for 3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide?
The canonical SMILES for 3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide is CC(C)(CC(N)=O)NCc1cncs1.
What is the InChIKey of 3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide?
The InChIKey is GEUJVKUBRSPZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-9(2,3-8(10)13)12-5-7-4-11-6-14-7/h4,6,12H,3,5H2,1-2H3,(H2,10,13).
What are the key properties of 3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide?
3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide has a molecular weight of 213.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide is sourced from PubChem (CID 106096039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).