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

C8H5F3N2S — CID 116967685

IUPAC4-(1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(-c2cc[nH]c2)cs1
InChIInChI=1S/C8H5F3N2S/c9-8(10,11)7-13-6(4-14-7)5-1-2-12-3-5/h1-4,12H
InChIKeyWPVQJNCJTWXUFP-UHFFFAOYSA-N
MW218.20 g/mol
LogP3.16
Rot. Bonds1

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

4-(1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 116967685) has the molecular formula C8H5F3N2S and a molecular weight of 218.20 g/mol. Its IUPAC name is 4-(1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID116967685
Molecular FormulaC8H5F3N2S
Molecular Weight218.20 g/mol
Exact Mass218.01
IUPAC Name4-(1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(-c2cc[nH]c2)cs1
InChIInChI=1S/C8H5F3N2S/c9-8(10,11)7-13-6(4-14-7)5-1-2-12-3-5/h1-4,12H
InChIKeyWPVQJNCJTWXUFP-UHFFFAOYSA-N
XLogP3.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine
CID 15327676
3-methyl-3-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]butan-1-amine
CID 116965180
[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine
CID 82280712
[1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanol
CID 116966914
4-methyl-6-(1H-pyrrol-3-yl)-2-(trifluoromethyl)pyrimidine
CID 116896762
2-[[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetic acid
CID 82292777
N,2-dimethyl-1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 116968788
N-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 15327677
4-thiophen-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 116967666
3-methyl-2-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]butan-1-ol
CID 116967340
4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 112700792
1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclobutane-1-carbonitrile
CID 116865556

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 116967685) is 4-(1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1nc(-c2cc[nH]c2)cs1.
What is the InChIKey of 4-(1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is WPVQJNCJTWXUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2S/c9-8(10,11)7-13-6(4-14-7)5-1-2-12-3-5/h1-4,12H.
What are the key properties of 4-(1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
4-(1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 218.20 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 116967685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).