5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid

C8H7F3N2O2S — CID 106215468

IUPAC5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H7F3N2O2S/c9-8(10,11)7(1-2-7)13-5-4(6(14)15)12-3-16-5/h3,13H,1-2H2,(H,14,15)
InChIKeyDAHUYOLHHDIOTJ-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.35
Rot. Bonds3

About 5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid

5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 106215468) has the molecular formula C8H7F3N2O2S and a molecular weight of 252.22 g/mol. Its IUPAC name is 5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid
PubChem CID106215468
Molecular FormulaC8H7F3N2O2S
Molecular Weight252.22 g/mol
Exact Mass252.02
IUPAC Name5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H7F3N2O2S/c9-8(10,11)7(1-2-7)13-5-4(6(14)15)12-3-16-5/h3,13H,1-2H2,(H,14,15)
InChIKeyDAHUYOLHHDIOTJ-UHFFFAOYSA-N
XLogP2.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid (CID 106215468) is 5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1NC1(C(F)(F)F)CC1.
What is the InChIKey of 5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is DAHUYOLHHDIOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2S/c9-8(10,11)7(1-2-7)13-5-4(6(14)15)12-3-16-5/h3,13H,1-2H2,(H,14,15).
What are the key properties of 5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid?
5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 252.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106215468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).