CID 58450283

C10H11F3N2O2S — CID 58450283

IUPAC—
SMILES[CH]OC(c1cnc(N2CCOCC2)s1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2S/c1-16-8(10(11,12)13)7-6-14-9(18-7)15-2-4-17-5-3-15/h1,6,8H,2-5H2
InChIKeyGICUAIMEIMLVTC-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.27
Rot. Bonds3

About CID 58450283

CID 58450283 (PubChem CID 58450283) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol.

Molecular Properties

Compound NameCID 58450283
PubChem CID58450283
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name—
SMILES[CH]OC(c1cnc(N2CCOCC2)s1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2S/c1-16-8(10(11,12)13)7-6-14-9(18-7)15-2-4-17-5-3-15/h1,6,8H,2-5H2
InChIKeyGICUAIMEIMLVTC-UHFFFAOYSA-N
XLogP2.27
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-Trifluoro-1-(2-morpholin-4-yl-thiazol-5-yl)ethanone
CID 59437219
2,2,2-Trifluoro-1-(2-morpholinothiazol-5-yl)ethanol
CID 67401740
4-[5-(2,2,2-Trifluoro-1-methoxyethyl)-1,3-thiazol-2-yl]morpholine
CID 68229730
1-[2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanol
CID 55140587
1-[2-[Propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62752654
1-[2-[Ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62753515
2-(Fluoromethyl)-4-(5-methyl-1,3-thiazol-2-yl)morpholine
CID 126794012
(2S)-2-(fluoromethyl)-4-(5-methyl-1,3-thiazol-2-yl)morpholine
CID 129348616
(2R)-2-(fluoromethyl)-4-(5-methyl-1,3-thiazol-2-yl)morpholine
CID 129348617
4-[5-(Difluoromethyl)thiazol-2-yl]morpholine
CID 129532527
N,N-dimethyl-1-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methanamine
CID 133508791
4-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile
CID 133508805

Frequently Asked Questions

What is the IUPAC name of CID 58450283?
The IUPAC name of CID 58450283 (CID 58450283) is not available.
What is the SMILES notation for CID 58450283?
The canonical SMILES for CID 58450283 is [CH]OC(c1cnc(N2CCOCC2)s1)C(F)(F)F.
What is the InChIKey of CID 58450283?
The InChIKey is GICUAIMEIMLVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c1-16-8(10(11,12)13)7-6-14-9(18-7)15-2-4-17-5-3-15/h1,6,8H,2-5H2.
What are the key properties of CID 58450283?
CID 58450283 has a molecular weight of 280.27 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450283 is sourced from PubChem (CID 58450283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).