(2-methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone

C9H8F3NOS — CID 165405000

IUPAC(2-methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCc1ncc(C(=O)C2(C(F)(F)F)CC2)s1
InChIInChI=1S/C9H8F3NOS/c1-5-13-4-6(15-5)7(14)8(2-3-8)9(10,11)12/h4H,2-3H2,1H3
InChIKeyMUOFPPPFSWSRSW-UHFFFAOYSA-N
MW235.23 g/mol
LogP2.98
Rot. Bonds2

About (2-methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone

(2-methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 165405000) has the molecular formula C9H8F3NOS and a molecular weight of 235.23 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID165405000
Molecular FormulaC9H8F3NOS
Molecular Weight235.23 g/mol
Exact Mass235.03
IUPAC Name(2-methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCc1ncc(C(=O)C2(C(F)(F)F)CC2)s1
InChIInChI=1S/C9H8F3NOS/c1-5-13-4-6(15-5)7(14)8(2-3-8)9(10,11)12/h4H,2-3H2,1H3
InChIKeyMUOFPPPFSWSRSW-UHFFFAOYSA-N
XLogP2.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of (2-methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone (CID 165405000) is (2-methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for (2-methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone is Cc1ncc(C(=O)C2(C(F)(F)F)CC2)s1.
What is the InChIKey of (2-methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is MUOFPPPFSWSRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NOS/c1-5-13-4-6(15-5)7(14)8(2-3-8)9(10,11)12/h4H,2-3H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
(2-methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 235.23 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 165405000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).