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

C8H14N2OS — CID 82504326

IUPAC3-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1C(C)(C)CN
InChIInChI=1S/C8H14N2OS/c1-6-4-12-7(11)10(6)8(2,3)5-9/h4H,5,9H2,1-3H3
InChIKeyYZMCZMKQJSDAFN-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.91
Rot. Bonds2

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

3-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-2-one (PubChem CID 82504326) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-2-one
PubChem CID82504326
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name3-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1C(C)(C)CN
InChIInChI=1S/C8H14N2OS/c1-6-4-12-7(11)10(6)8(2,3)5-9/h4H,5,9H2,1-3H3
InChIKeyYZMCZMKQJSDAFN-UHFFFAOYSA-N
XLogP0.91
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Aminoethyl)-4-methyl-1,3-thiazol-2-one
CID 43213975
3-[2-(Tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one
CID 60671313
4-Methyl-3-[2-(methylamino)ethyl]-1,3-thiazol-2-one
CID 60673049
3-[2-(Ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one
CID 60673072
3-(2-Aminoethyl)-4-propan-2-yl-1,3-thiazol-2-one
CID 82504319
3-(1-Amino-2-methylbutan-2-yl)-4-methyl-1,3-thiazol-2-one
CID 82506171
4-[(tert-butylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113123
4-[[2-(tert-butylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379873
4-[[2-(diethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380834
4-[[2-(dimethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381077
4-[[2-(ethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381769
4-[[[2-methyl-2-(methylamino)propyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106381783

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-2-one (CID 82504326) is 3-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1C(C)(C)CN.
What is the InChIKey of 3-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-2-one?
The InChIKey is YZMCZMKQJSDAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-6-4-12-7(11)10(6)8(2,3)5-9/h4H,5,9H2,1-3H3.
What are the key properties of 3-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-2-one?
3-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-2-one has a molecular weight of 186.28 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 82504326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).