(2-amino-1,3-thiazol-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone

C9H10F3N3OS — CID 114271833

IUPAC(2-amino-1,3-thiazol-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESNc1nc(C(=O)N2CCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)5-1-2-15(3-5)7(16)6-4-17-8(13)14-6/h4-5H,1-3H2,(H2,13,14)
InChIKeyRVOCUDYRSYZUAE-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.75
Rot. Bonds1

About (2-amino-1,3-thiazol-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone

(2-amino-1,3-thiazol-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 114271833) has the molecular formula C9H10F3N3OS and a molecular weight of 265.26 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID114271833
Molecular FormulaC9H10F3N3OS
Molecular Weight265.26 g/mol
Exact Mass265.05
IUPAC Name(2-amino-1,3-thiazol-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESNc1nc(C(=O)N2CCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)5-1-2-15(3-5)7(16)6-4-17-8(13)14-6/h4-5H,1-3H2,(H2,13,14)
InChIKeyRVOCUDYRSYZUAE-UHFFFAOYSA-N
XLogP1.75
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 114271833) is (2-amino-1,3-thiazol-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone is Nc1nc(C(=O)N2CCC(C(F)(F)F)C2)cs1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is RVOCUDYRSYZUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3OS/c10-9(11,12)5-1-2-15(3-5)7(16)6-4-17-8(13)14-6/h4-5H,1-3H2,(H2,13,14).
What are the key properties of (2-amino-1,3-thiazol-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
(2-amino-1,3-thiazol-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 265.26 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 114271833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).