5-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-pyrrol-1-yl-1,3-thiazole

C10H6F6N2S — CID 141237141

IUPAC5-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-pyrrol-1-yl-1,3-thiazole
SMILESFC(F)C(F)(c1cnc(-n2cccc2)s1)C(F)(F)F
InChIInChI=1S/C10H6F6N2S/c11-7(12)9(13,10(14,15)16)6-5-17-8(19-6)18-3-1-2-4-18/h1-5,7H
InChIKeyRCKLYDQHECUOAE-UHFFFAOYSA-N
MW300.23 g/mol
LogP3.93
Rot. Bonds3

About 5-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-pyrrol-1-yl-1,3-thiazole

5-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-pyrrol-1-yl-1,3-thiazole (PubChem CID 141237141) has the molecular formula C10H6F6N2S and a molecular weight of 300.23 g/mol. Its IUPAC name is 5-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-pyrrol-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-pyrrol-1-yl-1,3-thiazole
PubChem CID141237141
Molecular FormulaC10H6F6N2S
Molecular Weight300.23 g/mol
Exact Mass300.02
IUPAC Name5-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-pyrrol-1-yl-1,3-thiazole
SMILESFC(F)C(F)(c1cnc(-n2cccc2)s1)C(F)(F)F
InChIInChI=1S/C10H6F6N2S/c11-7(12)9(13,10(14,15)16)6-5-17-8(19-6)18-3-1-2-4-18/h1-5,7H
InChIKeyRCKLYDQHECUOAE-UHFFFAOYSA-N
XLogP3.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-pyrrol-1-yl-1,3-thiazole with MolForge

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Related Compounds

2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 298680
4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 4715102
2-Pyrrol-1-yl-4-(trifluoromethyl)-1,3-thiazole
CID 19010564
2-Pyrrol-1-yl-4-(trifluoromethoxy)-1,3-thiazole
CID 19010567
2-Pyrrol-1-yl-4-(1,1,2,2-tetrafluoroethoxy)-1,3-thiazole
CID 21760624
2-[2,3,4,5-Tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]-1,3-thiazole
CID 121223409
5-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 4715084
4-Propan-2-yl-2-pyrrol-1-yl-1,3-thiazole
CID 21760627
4-Tert-butyl-2-pyrrol-1-yl-1,3-thiazole
CID 23191351
4,5-Dimethyl-2-pyrrol-1-yl-1,3-thiazole
CID 61467607
4-Pyrrol-1-yl-1,3-thiazole
CID 118078297
2-(2-Methylsulfanylpyrrol-1-yl)-1,3-thiazole
CID 166959186

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-pyrrol-1-yl-1,3-thiazole?
The IUPAC name of 5-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-pyrrol-1-yl-1,3-thiazole (CID 141237141) is 5-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-pyrrol-1-yl-1,3-thiazole.
What is the SMILES notation for 5-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-pyrrol-1-yl-1,3-thiazole?
The canonical SMILES for 5-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-pyrrol-1-yl-1,3-thiazole is FC(F)C(F)(c1cnc(-n2cccc2)s1)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-pyrrol-1-yl-1,3-thiazole?
The InChIKey is RCKLYDQHECUOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6N2S/c11-7(12)9(13,10(14,15)16)6-5-17-8(19-6)18-3-1-2-4-18/h1-5,7H.
What are the key properties of 5-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-pyrrol-1-yl-1,3-thiazole?
5-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-pyrrol-1-yl-1,3-thiazole has a molecular weight of 300.23 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,2,3,3-hexafluoropropan-2-yl)-2-pyrrol-1-yl-1,3-thiazole is sourced from PubChem (CID 141237141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).