4-methyl-2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1,3-thiazole

C9H7F3N2S — CID 136988750

IUPAC4-methyl-2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(-c2cc[nH]c2)sc1C(F)(F)F
InChIInChI=1S/C9H7F3N2S/c1-5-7(9(10,11)12)15-8(14-5)6-2-3-13-4-6/h2-4,13H,1H3
InChIKeyDBEGMIFWDXUYJA-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.47
Rot. Bonds1

About 4-methyl-2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1,3-thiazole

4-methyl-2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1,3-thiazole (PubChem CID 136988750) has the molecular formula C9H7F3N2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 4-methyl-2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1,3-thiazole
PubChem CID136988750
Molecular FormulaC9H7F3N2S
Molecular Weight232.23 g/mol
Exact Mass232.03
IUPAC Name4-methyl-2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(-c2cc[nH]c2)sc1C(F)(F)F
InChIInChI=1S/C9H7F3N2S/c1-5-7(9(10,11)12)15-8(14-5)6-2-3-13-4-6/h2-4,13H,1H3
InChIKeyDBEGMIFWDXUYJA-UHFFFAOYSA-N
XLogP3.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1,3-thiazole (CID 136988750) is 4-methyl-2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1,3-thiazole is Cc1nc(-c2cc[nH]c2)sc1C(F)(F)F.
What is the InChIKey of 4-methyl-2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1,3-thiazole?
The InChIKey is DBEGMIFWDXUYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2S/c1-5-7(9(10,11)12)15-8(14-5)6-2-3-13-4-6/h2-4,13H,1H3.
What are the key properties of 4-methyl-2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1,3-thiazole?
4-methyl-2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1,3-thiazole has a molecular weight of 232.23 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 136988750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).