2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone

C9H9F3N2OS — CID 118152515

IUPAC2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone
SMILESCc1nc2c(s1)CN(C(=O)C(F)(F)F)CC2
InChIInChI=1S/C9H9F3N2OS/c1-5-13-6-2-3-14(4-7(6)16-5)8(15)9(10,11)12/h2-4H2,1H3
InChIKeyBMTUPQLWEFCQHM-UHFFFAOYSA-N
MW250.24 g/mol
LogP1.90
Rot. Bonds

About 2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone

2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone (PubChem CID 118152515) has the molecular formula C9H9F3N2OS and a molecular weight of 250.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone
PubChem CID118152515
Molecular FormulaC9H9F3N2OS
Molecular Weight250.24 g/mol
Exact Mass250.04
IUPAC Name2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone
SMILESCc1nc2c(s1)CN(C(=O)C(F)(F)F)CC2
InChIInChI=1S/C9H9F3N2OS/c1-5-13-6-2-3-14(4-7(6)16-5)8(15)9(10,11)12/h2-4H2,1H3
InChIKeyBMTUPQLWEFCQHM-UHFFFAOYSA-N
XLogP1.90
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone (CID 118152515) is 2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone is Cc1nc2c(s1)CN(C(=O)C(F)(F)F)CC2.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone?
The InChIKey is BMTUPQLWEFCQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2OS/c1-5-13-6-2-3-14(4-7(6)16-5)8(15)9(10,11)12/h2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone?
2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone has a molecular weight of 250.24 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 118152515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).