2-methyl-5-[(3-methylimidazol-4-yl)sulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole

C10H10F3N3O2S2 — CID 167780672

IUPAC2-methyl-5-[(3-methylimidazol-4-yl)sulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)c(CS(=O)(=O)c2cncn2C)s1
InChIInChI=1S/C10H10F3N3O2S2/c1-6-15-9(10(11,12)13)7(19-6)4-20(17,18)8-3-14-5-16(8)2/h3,5H,4H2,1-2H3
InChIKeyPJWSAXORCOFZEP-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.18
Rot. Bonds3

About 2-methyl-5-[(3-methylimidazol-4-yl)sulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole

2-methyl-5-[(3-methylimidazol-4-yl)sulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 167780672) has the molecular formula C10H10F3N3O2S2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-methyl-5-[(3-methylimidazol-4-yl)sulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[(3-methylimidazol-4-yl)sulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID167780672
Molecular FormulaC10H10F3N3O2S2
Molecular Weight325.34 g/mol
Exact Mass325.02
IUPAC Name2-methyl-5-[(3-methylimidazol-4-yl)sulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)c(CS(=O)(=O)c2cncn2C)s1
InChIInChI=1S/C10H10F3N3O2S2/c1-6-15-9(10(11,12)13)7(19-6)4-20(17,18)8-3-14-5-16(8)2/h3,5H,4H2,1-2H3
InChIKeyPJWSAXORCOFZEP-UHFFFAOYSA-N
XLogP2.18
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(Trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonic acid
CID 14422472
6-(Trifluoromethyl)imidazo[2,1-b][1,3]thiazole-3-sulfonic acid
CID 87588993
4-Methyl-2-[4-(trifluoromethyl)imidazol-1-yl]-1,3-thiazole
CID 177735270
2-Methyl-5-[4-(trifluoromethyl)imidazol-1-yl]-1,3-thiazole
CID 177744496
4-[(2-Methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole
CID 71981265
6-(Trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 14422483
2-Ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,3-thiazole
CID 75374521
2,3-Dimethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
CID 83085704
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide
CID 86816372
[3-Methyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonyl]imidazol-4-yl]methanol
CID 109982906
5-[(1-Butyl-4,5-dimethylimidazol-2-yl)sulfonylmethyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole
CID 126803290
2-[4-(1,2-Dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 133383662

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methylimidazol-4-yl)sulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-methyl-5-[(3-methylimidazol-4-yl)sulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole (CID 167780672) is 2-methyl-5-[(3-methylimidazol-4-yl)sulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[(3-methylimidazol-4-yl)sulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[(3-methylimidazol-4-yl)sulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole is Cc1nc(C(F)(F)F)c(CS(=O)(=O)c2cncn2C)s1.
What is the InChIKey of 2-methyl-5-[(3-methylimidazol-4-yl)sulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is PJWSAXORCOFZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2S2/c1-6-15-9(10(11,12)13)7(19-6)4-20(17,18)8-3-14-5-16(8)2/h3,5H,4H2,1-2H3.
What are the key properties of 2-methyl-5-[(3-methylimidazol-4-yl)sulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
2-methyl-5-[(3-methylimidazol-4-yl)sulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 325.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methylimidazol-4-yl)sulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 167780672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).