5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-2-phenyl-5H-1,3-thiazol-4-ol

C13H11F6NOS — CID 135078969

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-2-phenyl-5H-1,3-thiazol-4-ol
SMILESCC1(O)N=C(c2ccccc2)SC1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H11F6NOS/c1-11(21)9(8(12(14,15)16)13(17,18)19)22-10(20-11)7-5-3-2-4-6-7/h2-6,8-9,21H,1H3
InChIKeyUCUBVEJGHAVODA-UHFFFAOYSA-N
MW343.29 g/mol
LogP4.00
Rot. Bonds2

About 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-2-phenyl-5H-1,3-thiazol-4-ol

5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-2-phenyl-5H-1,3-thiazol-4-ol (PubChem CID 135078969) has the molecular formula C13H11F6NOS and a molecular weight of 343.29 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-2-phenyl-5H-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-2-phenyl-5H-1,3-thiazol-4-ol
PubChem CID135078969
Molecular FormulaC13H11F6NOS
Molecular Weight343.29 g/mol
Exact Mass343.05
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-2-phenyl-5H-1,3-thiazol-4-ol
SMILESCC1(O)N=C(c2ccccc2)SC1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H11F6NOS/c1-11(21)9(8(12(14,15)16)13(17,18)19)22-10(20-11)7-5-3-2-4-6-7/h2-6,8-9,21H,1H3
InChIKeyUCUBVEJGHAVODA-UHFFFAOYSA-N
XLogP4.00
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-2-phenyl-5H-1,3-thiazol-4-ol with MolForge

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Related Compounds

2-Benzyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-4-ol
CID 3363949
4-Methyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol
CID 470268
4-Ethyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol
CID 470269
4,5,6-Trimethyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol
CID 470270
6-Isopropyl-4-methyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol
CID 470271
4-Methyl-2-phenyl-6-propyl-5,6-dihydro-1,3-thiazin-4-ol
CID 470273
2,2-Dimethyl-4-phenyl-6,6-bis(trifluoromethyl)-1,3,5-oxathiazine
CID 12391927
1-[2-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
CID 68199502
[4-Propyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol
CID 71049141
[4-Methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol
CID 71053768
1-[4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-1-ium-1-yl]ethanol
CID 162540484
2-[1-Ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-1-ium-4-yl]ethanol
CID 162540645

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-2-phenyl-5H-1,3-thiazol-4-ol?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-2-phenyl-5H-1,3-thiazol-4-ol (CID 135078969) is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-2-phenyl-5H-1,3-thiazol-4-ol.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-2-phenyl-5H-1,3-thiazol-4-ol?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-2-phenyl-5H-1,3-thiazol-4-ol is CC1(O)N=C(c2ccccc2)SC1C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-2-phenyl-5H-1,3-thiazol-4-ol?
The InChIKey is UCUBVEJGHAVODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F6NOS/c1-11(21)9(8(12(14,15)16)13(17,18)19)22-10(20-11)7-5-3-2-4-6-7/h2-6,8-9,21H,1H3.
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-2-phenyl-5H-1,3-thiazol-4-ol?
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-2-phenyl-5H-1,3-thiazol-4-ol has a molecular weight of 343.29 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-2-phenyl-5H-1,3-thiazol-4-ol is sourced from PubChem (CID 135078969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).