2-(4-methyl-1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroacetyl)carbamic acid

C9H9F3N2O3S — CID 143175630

IUPAC2-(4-methyl-1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroacetyl)carbamic acid
SMILESCc1csc(CCN(C(=O)O)C(=O)C(F)(F)F)n1
InChIInChI=1S/C9H9F3N2O3S/c1-5-4-18-6(13-5)2-3-14(8(16)17)7(15)9(10,11)12/h4H,2-3H2,1H3,(H,16,17)
InChIKeyCRLFTXHFPJPYFF-UHFFFAOYSA-N
MW282.24 g/mol
LogP2.06
Rot. Bonds3

About 2-(4-methyl-1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroacetyl)carbamic acid

2-(4-methyl-1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroacetyl)carbamic acid (PubChem CID 143175630) has the molecular formula C9H9F3N2O3S and a molecular weight of 282.24 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroacetyl)carbamic acid.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroacetyl)carbamic acid
PubChem CID143175630
Molecular FormulaC9H9F3N2O3S
Molecular Weight282.24 g/mol
Exact Mass282.03
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroacetyl)carbamic acid
SMILESCc1csc(CCN(C(=O)O)C(=O)C(F)(F)F)n1
InChIInChI=1S/C9H9F3N2O3S/c1-5-4-18-6(13-5)2-3-14(8(16)17)7(15)9(10,11)12/h4H,2-3H2,1H3,(H,16,17)
InChIKeyCRLFTXHFPJPYFF-UHFFFAOYSA-N
XLogP2.06
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroacetyl)carbamic acid?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroacetyl)carbamic acid (CID 143175630) is 2-(4-methyl-1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroacetyl)carbamic acid.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroacetyl)carbamic acid?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroacetyl)carbamic acid is Cc1csc(CCN(C(=O)O)C(=O)C(F)(F)F)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroacetyl)carbamic acid?
The InChIKey is CRLFTXHFPJPYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3S/c1-5-4-18-6(13-5)2-3-14(8(16)17)7(15)9(10,11)12/h4H,2-3H2,1H3,(H,16,17).
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroacetyl)carbamic acid?
2-(4-methyl-1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroacetyl)carbamic acid has a molecular weight of 282.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroacetyl)carbamic acid is sourced from PubChem (CID 143175630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).