2-[1,3,4-thiadiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

C7H7F3N4O3S — CID 79258122

IUPAC2-[1,3,4-thiadiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Nc1nncs1
InChIInChI=1S/C7H7F3N4O3S/c8-7(9,10)2-14(1-4(15)16)6(17)12-5-13-11-3-18-5/h3H,1-2H2,(H,15,16)(H,12,13,17)
InChIKeyZTMWOSCBHPBBPQ-UHFFFAOYSA-N
MW284.22 g/mol
LogP1.02
Rot. Bonds4

About 2-[1,3,4-thiadiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[1,3,4-thiadiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258122) has the molecular formula C7H7F3N4O3S and a molecular weight of 284.22 g/mol. Its IUPAC name is 2-[1,3,4-thiadiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,3,4-thiadiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258122
Molecular FormulaC7H7F3N4O3S
Molecular Weight284.22 g/mol
Exact Mass284.02
IUPAC Name2-[1,3,4-thiadiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Nc1nncs1
InChIInChI=1S/C7H7F3N4O3S/c8-7(9,10)2-14(1-4(15)16)6(17)12-5-13-11-3-18-5/h3H,1-2H2,(H,15,16)(H,12,13,17)
InChIKeyZTMWOSCBHPBBPQ-UHFFFAOYSA-N
XLogP1.02
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[Thiatriazol-5-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 113650469
2-[Methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 43135652
2-(1,3,4-Thiadiazol-2-ylcarbamoylamino)acetic acid
CID 43445732
2-[2-Methylpropyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 55147440
2-[Butan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 61192256
2-[[2-(1,3,4-Thiadiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61192364
2-[4-(1,3,4-Thiadiazol-2-ylcarbamoyl)piperazin-1-yl]acetic acid
CID 61192473
2-[Ethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 61192478
2-[Propyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 61192597
2-[Propan-2-yl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 61192715
2-[Cyclopropyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 61193496
2-[Methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]propanoic acid
CID 62628202

Frequently Asked Questions

What is the IUPAC name of 2-[1,3,4-thiadiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[1,3,4-thiadiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258122) is 2-[1,3,4-thiadiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[1,3,4-thiadiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[1,3,4-thiadiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)Nc1nncs1.
What is the InChIKey of 2-[1,3,4-thiadiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is ZTMWOSCBHPBBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O3S/c8-7(9,10)2-14(1-4(15)16)6(17)12-5-13-11-3-18-5/h3H,1-2H2,(H,15,16)(H,12,13,17).
What are the key properties of 2-[1,3,4-thiadiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[1,3,4-thiadiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 284.22 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3,4-thiadiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).