2-[1,3-thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

C8H8F3N3O3S — CID 79258287

IUPAC2-[1,3-thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Nc1nccs1
InChIInChI=1S/C8H8F3N3O3S/c9-8(10,11)4-14(3-5(15)16)7(17)13-6-12-1-2-18-6/h1-2H,3-4H2,(H,15,16)(H,12,13,17)
InChIKeyGWYDUMVGRJEZID-UHFFFAOYSA-N
MW283.23 g/mol
LogP1.62
Rot. Bonds4

About 2-[1,3-thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[1,3-thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258287) has the molecular formula C8H8F3N3O3S and a molecular weight of 283.23 g/mol. Its IUPAC name is 2-[1,3-thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,3-thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258287
Molecular FormulaC8H8F3N3O3S
Molecular Weight283.23 g/mol
Exact Mass283.02
IUPAC Name2-[1,3-thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Nc1nccs1
InChIInChI=1S/C8H8F3N3O3S/c9-8(10,11)4-14(3-5(15)16)7(17)13-6-12-1-2-18-6/h1-2H,3-4H2,(H,15,16)(H,12,13,17)
InChIKeyGWYDUMVGRJEZID-UHFFFAOYSA-N
XLogP1.62
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Amino-1,3-thiazol-3-ium-3-yl)acetate
CID 2249315
2-((1,3-Thiazol-2-yl)amino)acetic acid
CID 302150
3-Azapentanedioic acid, 3-(2-thiazolyl)-
CID 3115033
1,3-Thiazol-2-amine;2,2,2-trifluoroacetic acid
CID 87375406
(1,3-Thiazol-2-ylcarbamoylamino) 2,2,2-trifluoroacetate
CID 140200208
N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid
CID 175690170
N-(1,3-thiazol-2-yl)acetamide;bis(2,2,2-trifluoroacetic acid)
CID 175756631
Oxo(1,3-thiazol-2-ylamino)acetic acid
CID 23038953
Methyl 3,3,3-trifluoro-2-propanamido-2-[(1,3-thiazol-2-YL)amino]propanoate
CID 3654903
methyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-N-1,3-thiazol-2-ylalaninate
CID 5303301
methyl (2R)-2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(1,3-thiazol-2-ylamino)propanoate
CID 7353022
methyl (2S)-2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(1,3-thiazol-2-ylamino)propanoate
CID 7353023

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[1,3-thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258287) is 2-[1,3-thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[1,3-thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[1,3-thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)Nc1nccs1.
What is the InChIKey of 2-[1,3-thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is GWYDUMVGRJEZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3S/c9-8(10,11)4-14(3-5(15)16)7(17)13-6-12-1-2-18-6/h1-2H,3-4H2,(H,15,16)(H,12,13,17).
What are the key properties of 2-[1,3-thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[1,3-thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 283.23 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).