2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one

C10H16N2OS — CID 155459923

IUPAC2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one
SMILESCC(C)(C)C(=O)C(N)Cc1cscn1
InChIInChI=1S/C10H16N2OS/c1-10(2,3)9(13)8(11)4-7-5-14-6-12-7/h5-6,8H,4,11H2,1-3H3
InChIKeyCJWXGFOQPPUXFJ-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.63
Rot. Bonds3

About 2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one

2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one (PubChem CID 155459923) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one.

Molecular Properties

Compound Name2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one
PubChem CID155459923
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one
SMILESCC(C)(C)C(=O)C(N)Cc1cscn1
InChIInChI=1S/C10H16N2OS/c1-10(2,3)9(13)8(11)4-7-5-14-6-12-7/h5-6,8H,4,11H2,1-3H3
InChIKeyCJWXGFOQPPUXFJ-UHFFFAOYSA-N
XLogP1.63
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride
CID 70073965
2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid
CID 68809495
(2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one
CID 58458155
(2R)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 69472054
3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 83139092
[1-amino-2-(1,3-thiazol-4-yl)ethyl] formate
CID 174645355
methyl 2-[[(2S)-2-amino-3-(1,3-thiazol-4-yl)propanoyl]amino]-1,3-thiazole-4-carboxylate
CID 87579921
2-methyl-1-(1,3-thiazol-4-yl)pentan-3-one
CID 76657349
3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide
CID 113497026
2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one
CID 70878581
2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 68831374
(2S)-2-amino-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride
CID 154886321

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one?
The IUPAC name of 2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one (CID 155459923) is 2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one.
What is the SMILES notation for 2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one?
The canonical SMILES for 2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one is CC(C)(C)C(=O)C(N)Cc1cscn1.
What is the InChIKey of 2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one?
The InChIKey is CJWXGFOQPPUXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-10(2,3)9(13)8(11)4-7-5-14-6-12-7/h5-6,8H,4,11H2,1-3H3.
What are the key properties of 2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one?
2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one has a molecular weight of 212.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one is sourced from PubChem (CID 155459923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).