2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid

C9H11F3N2O2S — CID 79257702

IUPAC2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1ncc(CN(CC(=O)O)CC(F)(F)F)s1
InChIInChI=1S/C9H11F3N2O2S/c1-6-13-2-7(17-6)3-14(4-8(15)16)5-9(10,11)12/h2H,3-5H2,1H3,(H,15,16)
InChIKeyHSHCKHPBMDDASG-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.90
Rot. Bonds5

About 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257702) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257702
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1ncc(CN(CC(=O)O)CC(F)(F)F)s1
InChIInChI=1S/C9H11F3N2O2S/c1-6-13-2-7(17-6)3-14(4-8(15)16)5-9(10,11)12/h2H,3-5H2,1H3,(H,15,16)
InChIKeyHSHCKHPBMDDASG-UHFFFAOYSA-N
XLogP1.90
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-1,3-thiazole-2-carboxylic acid
CID 21877349
Ethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetate
CID 53520820
2-(5-Methyl-1,3-thiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid
CID 69714135
5-(Difluoromethyl)-1,3-thiazole-2-carboxylic acid
CID 84656749
2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 61067669
2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 62729347
Methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetate
CID 72106116
2-[(2-Methyl-1,3-thiazol-5-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265666
3,3,3-Trifluoro-2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid
CID 79789661
5-(Fluoromethyl)-1,3-thiazole-2-carboxylic acid
CID 84764328
3,3,3-Trifluoro-2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]propanoic acid
CID 103243292
2,2-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 103515099

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257702) is 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1ncc(CN(CC(=O)O)CC(F)(F)F)s1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is HSHCKHPBMDDASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-6-13-2-7(17-6)3-14(4-8(15)16)5-9(10,11)12/h2H,3-5H2,1H3,(H,15,16).
What are the key properties of 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 268.26 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).