5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole

C10H7F3N2OS2 — CID 123930282

IUPAC5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESCS(=O)c1sc(-c2cccnc2)nc1C(F)(F)F
InChIInChI=1S/C10H7F3N2OS2/c1-18(16)9-7(10(11,12)13)15-8(17-9)6-3-2-4-14-5-6/h2-5H,1H3
InChIKeyQMAJMKRRTSCIBH-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.96
Rot. Bonds2

About 5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole

5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 123930282) has the molecular formula C10H7F3N2OS2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID123930282
Molecular FormulaC10H7F3N2OS2
Molecular Weight292.31 g/mol
Exact Mass292.00
IUPAC Name5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESCS(=O)c1sc(-c2cccnc2)nc1C(F)(F)F
InChIInChI=1S/C10H7F3N2OS2/c1-18(16)9-7(10(11,12)13)15-8(17-9)6-3-2-4-14-5-6/h2-5H,1H3
InChIKeyQMAJMKRRTSCIBH-UHFFFAOYSA-N
XLogP2.96
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole-4-carbonitrile
CID 161077475
4-cyclopropyl-5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole
CID 123874586
N,N-dimethyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-amine;N-ethyl-N-methyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-amine;2-(5-fluoro-3-pyridinyl)-N,N-dimethyl-4-(trifluoromethyl)-1,3-thiazol-5-amine;2-(5-fluoro-3-pyridinyl)-5-methylsulfinyl-4-(trifluoromethyl)-1,3-thiazole;2-(5-fluoro-3-pyridinyl)-N-methyl-4-(trifluoromethyl)-1,3-thiazol-5-amine;N-methyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-amine;5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole
CID 160832720
5-(3-methylbutan-2-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole
CID 123888341
2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide
CID 59580614
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2,2-trimethyl-3-methylsulfinylpropanamide
CID 59580590
2-pyridin-3-ylbenzo[e][1,3]benzothiazole
CID 13407323
N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
4-cyclopropyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole
CID 123250863
N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 61287607
6-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-2-pyridin-3-yl-6,7-dihydro-1,3-benzothiazole
CID 163720546
N-[4-(1,1-difluoro-2-methylprop-2-enyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
CID 126635055

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole (CID 123930282) is 5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole is CS(=O)c1sc(-c2cccnc2)nc1C(F)(F)F.
What is the InChIKey of 5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is QMAJMKRRTSCIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS2/c1-18(16)9-7(10(11,12)13)15-8(17-9)6-3-2-4-14-5-6/h2-5H,1H3.
What are the key properties of 5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole?
5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 292.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 123930282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).