1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid

C10H10F3N3O3S — CID 122091223

IUPAC1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ncc(C(F)(F)F)s2)C1
InChIInChI=1S/C10H10F3N3O3S/c11-10(12,13)6-3-14-8(20-6)15-9(19)16-2-1-5(4-16)7(17)18/h3,5H,1-2,4H2,(H,17,18)(H,14,15,19)
InChIKeyPHSHYTXDPQCMCR-UHFFFAOYSA-N
MW309.27 g/mol
LogP2.10
Rot. Bonds2

About 1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid

1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122091223) has the molecular formula C10H10F3N3O3S and a molecular weight of 309.27 g/mol. Its IUPAC name is 1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122091223
Molecular FormulaC10H10F3N3O3S
Molecular Weight309.27 g/mol
Exact Mass309.04
IUPAC Name1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ncc(C(F)(F)F)s2)C1
InChIInChI=1S/C10H10F3N3O3S/c11-10(12,13)6-3-14-8(20-6)15-9(19)16-2-1-5(4-16)7(17)18/h3,5H,1-2,4H2,(H,17,18)(H,14,15,19)
InChIKeyPHSHYTXDPQCMCR-UHFFFAOYSA-N
XLogP2.10
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 93612004
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CID 93612005
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CID 116386447
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CID 121998148
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CID 122009881

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 122091223) is 1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2ncc(C(F)(F)F)s2)C1.
What is the InChIKey of 1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is PHSHYTXDPQCMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O3S/c11-10(12,13)6-3-14-8(20-6)15-9(19)16-2-1-5(4-16)7(17)18/h3,5H,1-2,4H2,(H,17,18)(H,14,15,19).
What are the key properties of 1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 309.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122091223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).