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

C7H9F3N2OS — CID 43752836

IUPAC3-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1C(CN)C(F)(F)F
InChIInChI=1S/C7H9F3N2OS/c1-4-3-14-6(13)12(4)5(2-11)7(8,9)10/h3,5H,2,11H2,1H3
InChIKeyYRJNRJBNHOCNLK-UHFFFAOYSA-N
MW226.22 g/mol
LogP1.28
Rot. Bonds2

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

3-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methyl-1,3-thiazol-2-one (PubChem CID 43752836) has the molecular formula C7H9F3N2OS and a molecular weight of 226.22 g/mol. Its IUPAC name is 3-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methyl-1,3-thiazol-2-one
PubChem CID43752836
Molecular FormulaC7H9F3N2OS
Molecular Weight226.22 g/mol
Exact Mass226.04
IUPAC Name3-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1C(CN)C(F)(F)F
InChIInChI=1S/C7H9F3N2OS/c1-4-3-14-6(13)12(4)5(2-11)7(8,9)10/h3,5H,2,11H2,1H3
InChIKeyYRJNRJBNHOCNLK-UHFFFAOYSA-N
XLogP1.28
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-one
CID 63312347
3-(3-Amino-1,1,1-trifluoropropan-2-yl)-4,5-dimethyl-1,3-thiazol-2-one
CID 63312719
2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide
CID 71979625
3-(2-Aminoethyl)-4-(trifluoromethyl)-1,3-thiazol-2-one
CID 82508421
4-[(2,2,2-trifluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113133
4-[(1,1-difluoropropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379838
4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380671
4-[(3,3,3-trifluoropropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380737
4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380934
4-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381137
4-[[2-(2,2,2-trifluoroethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381860
3-(2-Aminoethyl)-4-methyl-1,3-thiazol-2-one
CID 43213975

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methyl-1,3-thiazol-2-one (CID 43752836) is 3-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1C(CN)C(F)(F)F.
What is the InChIKey of 3-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methyl-1,3-thiazol-2-one?
The InChIKey is YRJNRJBNHOCNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS/c1-4-3-14-6(13)12(4)5(2-11)7(8,9)10/h3,5H,2,11H2,1H3.
What are the key properties of 3-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methyl-1,3-thiazol-2-one?
3-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methyl-1,3-thiazol-2-one has a molecular weight of 226.22 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 43752836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).