2-amino-3-methyl-1-(1,3-thiazol-2-yl)butan-1-one

C8H12N2OS — CID 19810433

IUPAC2-amino-3-methyl-1-(1,3-thiazol-2-yl)butan-1-one
SMILESCC(C)C(N)C(=O)c1nccs1
InChIInChI=1S/C8H12N2OS/c1-5(2)6(9)7(11)8-10-3-4-12-8/h3-6H,9H2,1-2H3
InChIKeyBXWIFPAWDMEAHR-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.31
Rot. Bonds3

About 2-amino-3-methyl-1-(1,3-thiazol-2-yl)butan-1-one

2-amino-3-methyl-1-(1,3-thiazol-2-yl)butan-1-one (PubChem CID 19810433) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-amino-3-methyl-1-(1,3-thiazol-2-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-3-methyl-1-(1,3-thiazol-2-yl)butan-1-one
PubChem CID19810433
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-amino-3-methyl-1-(1,3-thiazol-2-yl)butan-1-one
SMILESCC(C)C(N)C(=O)c1nccs1
InChIInChI=1S/C8H12N2OS/c1-5(2)6(9)7(11)8-10-3-4-12-8/h3-6H,9H2,1-2H3
InChIKeyBXWIFPAWDMEAHR-UHFFFAOYSA-N
XLogP1.31
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dihydroxyethylamino)-1-(1,3-thiazol-2-yl)propan-1-one
CID 140598896
(2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 63239799
CID 69459233
CID 69459233
2-fluoro-3,3,5,5-tetramethyl-1-(1,3-thiazol-2-yl)hexan-1-one
CID 129233521
N-(aminomethyl)-1,3-thiazole-2-carboxamide
CID 123824838
2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-one
CID 82302526
benzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate
CID 73023394
acetaldehyde;1-(1,3-thiazol-2-yl)ethanol;1-(1,3-thiazol-2-yl)ethanone
CID 157147961
potassium;hydride;1,3-thiazole-2-carboxylic acid
CID 174946287
2-(1,3-thiazol-2-yl)prop-2-enehydrazide
CID 146268564
N-[1-[[5-(diaminomethylamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide
CID 78421832
N-[(1S)-1-cyanoethyl]-1,3-thiazole-2-carboxamide
CID 130629014

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-(1,3-thiazol-2-yl)butan-1-one?
The IUPAC name of 2-amino-3-methyl-1-(1,3-thiazol-2-yl)butan-1-one (CID 19810433) is 2-amino-3-methyl-1-(1,3-thiazol-2-yl)butan-1-one.
What is the SMILES notation for 2-amino-3-methyl-1-(1,3-thiazol-2-yl)butan-1-one?
The canonical SMILES for 2-amino-3-methyl-1-(1,3-thiazol-2-yl)butan-1-one is CC(C)C(N)C(=O)c1nccs1.
What is the InChIKey of 2-amino-3-methyl-1-(1,3-thiazol-2-yl)butan-1-one?
The InChIKey is BXWIFPAWDMEAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-5(2)6(9)7(11)8-10-3-4-12-8/h3-6H,9H2,1-2H3.
What are the key properties of 2-amino-3-methyl-1-(1,3-thiazol-2-yl)butan-1-one?
2-amino-3-methyl-1-(1,3-thiazol-2-yl)butan-1-one has a molecular weight of 184.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-(1,3-thiazol-2-yl)butan-1-one is sourced from PubChem (CID 19810433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).