2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid

C10H9F3N2O3S — CID 119185799

IUPAC2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H9F3N2O3S/c11-10(12,13)6-3-19-7(15-6)2-14-8(16)4-1-5(4)9(17)18/h3-5H,1-2H2,(H,14,16)(H,17,18)
InChIKeyBZFNQDFKNBEZFY-UHFFFAOYSA-N
MW294.25 g/mol
LogP1.50
Rot. Bonds4

About 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid

2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119185799) has the molecular formula C10H9F3N2O3S and a molecular weight of 294.25 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119185799
Molecular FormulaC10H9F3N2O3S
Molecular Weight294.25 g/mol
Exact Mass294.03
IUPAC Name2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H9F3N2O3S/c11-10(12,13)6-3-19-7(15-6)2-14-8(16)4-1-5(4)9(17)18/h3-5H,1-2H2,(H,14,16)(H,17,18)
InChIKeyBZFNQDFKNBEZFY-UHFFFAOYSA-N
XLogP1.50
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 119185799) is 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is BZFNQDFKNBEZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3S/c11-10(12,13)6-3-19-7(15-6)2-14-8(16)4-1-5(4)9(17)18/h3-5H,1-2H2,(H,14,16)(H,17,18).
What are the key properties of 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 294.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119185799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).