2-[cyclopropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetic acid

C8H8F3N3O2S — CID 114449317

IUPAC2-[cyclopropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetic acid
SMILESO=C(O)CN(c1nnc(C(F)(F)F)s1)C1CC1
InChIInChI=1S/C8H8F3N3O2S/c9-8(10,11)6-12-13-7(17-6)14(3-5(15)16)4-1-2-4/h4H,1-3H2,(H,15,16)
InChIKeyYWXSFLJJDORYOF-UHFFFAOYSA-N
MW267.23 g/mol
LogP1.61
Rot. Bonds4

About 2-[cyclopropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetic acid

2-[cyclopropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetic acid (PubChem CID 114449317) has the molecular formula C8H8F3N3O2S and a molecular weight of 267.23 g/mol. Its IUPAC name is 2-[cyclopropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetic acid
PubChem CID114449317
Molecular FormulaC8H8F3N3O2S
Molecular Weight267.23 g/mol
Exact Mass267.03
IUPAC Name2-[cyclopropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetic acid
SMILESO=C(O)CN(c1nnc(C(F)(F)F)s1)C1CC1
InChIInChI=1S/C8H8F3N3O2S/c9-8(10,11)6-12-13-7(17-6)14(3-5(15)16)4-1-2-4/h4H,1-3H2,(H,15,16)
InChIKeyYWXSFLJJDORYOF-UHFFFAOYSA-N
XLogP1.61
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetic acid
CID 114449314
2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]acetic acid
CID 79400566
2-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
CID 65273556
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-cyclopropylamino]acetic acid
CID 54945709
N,N-dimethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 130557653
2-[cyclopropyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
CID 65273496
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclopropylamino]ethanol
CID 64624732
2-[cyclopropyl(pyridin-2-yl)amino]acetic acid
CID 82372467
2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid
CID 60838670
2-[cyclopropyl(pyridazin-3-yl)amino]acetic acid
CID 82239338
2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]acetic acid
CID 114449392
2-[cyclopropyl-(3,5-dimethyl-4-pyridinyl)amino]acetic acid
CID 83837701

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetic acid (CID 114449317) is 2-[cyclopropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetic acid is O=C(O)CN(c1nnc(C(F)(F)F)s1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetic acid?
The InChIKey is YWXSFLJJDORYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2S/c9-8(10,11)6-12-13-7(17-6)14(3-5(15)16)4-1-2-4/h4H,1-3H2,(H,15,16).
What are the key properties of 2-[cyclopropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetic acid?
2-[cyclopropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetic acid has a molecular weight of 267.23 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetic acid is sourced from PubChem (CID 114449317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).