5-acetyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid

C10H9F3N2O3S — CID 106218829

IUPAC5-acetyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(NC2(C(F)(F)F)CC2)nc1C(=O)O
InChIInChI=1S/C10H9F3N2O3S/c1-4(16)6-5(7(17)18)14-8(19-6)15-9(2-3-9)10(11,12)13/h2-3H2,1H3,(H,14,15)(H,17,18)
InChIKeyCTWCNXHSAKYAOL-UHFFFAOYSA-N
MW294.25 g/mol
LogP2.55
Rot. Bonds4

About 5-acetyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid

5-acetyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 106218829) has the molecular formula C10H9F3N2O3S and a molecular weight of 294.25 g/mol. Its IUPAC name is 5-acetyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid
PubChem CID106218829
Molecular FormulaC10H9F3N2O3S
Molecular Weight294.25 g/mol
Exact Mass294.03
IUPAC Name5-acetyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(NC2(C(F)(F)F)CC2)nc1C(=O)O
InChIInChI=1S/C10H9F3N2O3S/c1-4(16)6-5(7(17)18)14-8(19-6)15-9(2-3-9)10(11,12)13/h2-3H2,1H3,(H,14,15)(H,17,18)
InChIKeyCTWCNXHSAKYAOL-UHFFFAOYSA-N
XLogP2.55
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid (CID 106218829) is 5-acetyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(NC2(C(F)(F)F)CC2)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is CTWCNXHSAKYAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3S/c1-4(16)6-5(7(17)18)14-8(19-6)15-9(2-3-9)10(11,12)13/h2-3H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 5-acetyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 294.25 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106218829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).