2-(4-fluoro-2-methylphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole

C13H13FN2S — CID 145128275

IUPAC2-(4-fluoro-2-methylphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
SMILESCc1cc(F)ccc1-c1nc2c(s1)CN(C)C2
InChIInChI=1S/C13H13FN2S/c1-8-5-9(14)3-4-10(8)13-15-11-6-16(2)7-12(11)17-13/h3-5H,6-7H2,1-2H3
InChIKeyJWIVFXJMBVTCOK-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.20
Rot. Bonds1

About 2-(4-fluoro-2-methylphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole

2-(4-fluoro-2-methylphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole (PubChem CID 145128275) has the molecular formula C13H13FN2S and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
PubChem CID145128275
Molecular FormulaC13H13FN2S
Molecular Weight248.33 g/mol
Exact Mass248.08
IUPAC Name2-(4-fluoro-2-methylphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
SMILESCc1cc(F)ccc1-c1nc2c(s1)CN(C)C2
InChIInChI=1S/C13H13FN2S/c1-8-5-9(14)3-4-10(8)13-15-11-6-16(2)7-12(11)17-13/h3-5H,6-7H2,1-2H3
InChIKeyJWIVFXJMBVTCOK-UHFFFAOYSA-N
XLogP3.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395638
2-(4-fluoro-2-methylphenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 81278243
5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
CID 129012803
5-methyl-2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
CID 145128379
methyl 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate
CID 118559916
N-[[2-(4-fluoro-2-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363839
4-tert-butyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 114359500
4-(5-fluoro-1,3-benzothiazol-2-yl)-3-methylphenol
CID 136750939
1-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 81277555
ethyl 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 81273605
3-(4-fluoro-2-methylphenyl)-1-methylpyrazole
CID 140621702
2-[2-(bromomethyl)-4-fluorophenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 118326615

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole (CID 145128275) is 2-(4-fluoro-2-methylphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole is Cc1cc(F)ccc1-c1nc2c(s1)CN(C)C2.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
The InChIKey is JWIVFXJMBVTCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2S/c1-8-5-9(14)3-4-10(8)13-15-11-6-16(2)7-12(11)17-13/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
2-(4-fluoro-2-methylphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole has a molecular weight of 248.33 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole is sourced from PubChem (CID 145128275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).