3-(1-amino-2-methylbutan-2-yl)-4-methyl-1,3-thiazol-2-one

C9H16N2OS — CID 82506171

IUPAC3-(1-amino-2-methylbutan-2-yl)-4-methyl-1,3-thiazol-2-one
SMILESCCC(C)(CN)n1c(C)csc1=O
InChIInChI=1S/C9H16N2OS/c1-4-9(3,6-10)11-7(2)5-13-8(11)12/h5H,4,6,10H2,1-3H3
InChIKeyLOJMLZSKDMDSKI-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.30
Rot. Bonds3

About 3-(1-amino-2-methylbutan-2-yl)-4-methyl-1,3-thiazol-2-one

3-(1-amino-2-methylbutan-2-yl)-4-methyl-1,3-thiazol-2-one (PubChem CID 82506171) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-(1-amino-2-methylbutan-2-yl)-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(1-amino-2-methylbutan-2-yl)-4-methyl-1,3-thiazol-2-one
PubChem CID82506171
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name3-(1-amino-2-methylbutan-2-yl)-4-methyl-1,3-thiazol-2-one
SMILESCCC(C)(CN)n1c(C)csc1=O
InChIInChI=1S/C9H16N2OS/c1-4-9(3,6-10)11-7(2)5-13-8(11)12/h5H,4,6,10H2,1-3H3
InChIKeyLOJMLZSKDMDSKI-UHFFFAOYSA-N
XLogP1.30
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(Tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one
CID 60671313
4-Methyl-3-[2-(propylamino)ethyl]-1,3-thiazol-2-one
CID 60671974
3-(1-Amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-2-one
CID 82504326
3-[1-(Aminomethyl)cyclopentyl]-4-methyl-1,3-thiazol-2-one
CID 82508529
3-(1-Amino-2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazol-2-one
CID 82508536
4-[[2-(tert-butylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379873
4-[(3-methylbutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379884
4-[(3,3-dimethylbutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380060
4-[(2-methylbutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380386
4-[[4-(methylamino)butylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381711
4-[[(4-amino-4-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381754
4-[[2-(aminomethyl)butylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381755

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-methylbutan-2-yl)-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(1-amino-2-methylbutan-2-yl)-4-methyl-1,3-thiazol-2-one (CID 82506171) is 3-(1-amino-2-methylbutan-2-yl)-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(1-amino-2-methylbutan-2-yl)-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(1-amino-2-methylbutan-2-yl)-4-methyl-1,3-thiazol-2-one is CCC(C)(CN)n1c(C)csc1=O.
What is the InChIKey of 3-(1-amino-2-methylbutan-2-yl)-4-methyl-1,3-thiazol-2-one?
The InChIKey is LOJMLZSKDMDSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-4-9(3,6-10)11-7(2)5-13-8(11)12/h5H,4,6,10H2,1-3H3.
What are the key properties of 3-(1-amino-2-methylbutan-2-yl)-4-methyl-1,3-thiazol-2-one?
3-(1-amino-2-methylbutan-2-yl)-4-methyl-1,3-thiazol-2-one has a molecular weight of 200.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-methylbutan-2-yl)-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 82506171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).