4,6-diphenyl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole

C18H10F3NS2 — CID 151241023

IUPAC4,6-diphenyl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole
SMILESFC(F)(F)c1nc2c(-c3ccccc3)sc(-c3ccccc3)c2s1
InChIInChI=1S/C18H10F3NS2/c19-18(20,21)17-22-13-14(11-7-3-1-4-8-11)23-15(16(13)24-17)12-9-5-2-6-10-12/h1-10H
InChIKeyNQHSEFQIONASQQ-UHFFFAOYSA-N
MW361.41 g/mol
LogP6.71
Rot. Bonds2

About 4,6-diphenyl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole

4,6-diphenyl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole (PubChem CID 151241023) has the molecular formula C18H10F3NS2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 4,6-diphenyl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name4,6-diphenyl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole
PubChem CID151241023
Molecular FormulaC18H10F3NS2
Molecular Weight361.41 g/mol
Exact Mass361.02
IUPAC Name4,6-diphenyl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole
SMILESFC(F)(F)c1nc2c(-c3ccccc3)sc(-c3ccccc3)c2s1
InChIInChI=1S/C18H10F3NS2/c19-18(20,21)17-22-13-14(11-7-3-1-4-8-11)23-15(16(13)24-17)12-9-5-2-6-10-12/h1-10H
InChIKeyNQHSEFQIONASQQ-UHFFFAOYSA-N
XLogP6.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.41
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methyl-2,5-diphenylthiophene
CID 89479588
4,6,10,12-tetraphenyl-2,5,8,11-tetrathiatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
CID 177405834
2,5-bis[4-(3,4-dimethyl-5-phenylthiophen-2-yl)phenyl]-3,4-dimethylthiophene
CID 59718202
(2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine
CID 133060775
4-benzyl-2,5-diphenyl-1,3-thiazole
CID 46862429
5-(1,1-difluoroethyl)-4-phenyl-1,3-thiazol-2-amine
CID 83853866
5-phenyl-1,3-thiazole-2,4-diamine
CID 10275
5-phenyl-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 568454
3,4-bis(chloromethyl)-2,5-diphenylthiophene
CID 11727323
2,4-dimethyl-5-phenyl-1,3-thiazole;fluoroform
CID 159404933
(2-amino-5-phenyl-1,3-thiazol-4-yl)methanol
CID 133061184
N-[2-[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine
CID 115976693

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole?
The IUPAC name of 4,6-diphenyl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole (CID 151241023) is 4,6-diphenyl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole.
What is the SMILES notation for 4,6-diphenyl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole?
The canonical SMILES for 4,6-diphenyl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole is FC(F)(F)c1nc2c(-c3ccccc3)sc(-c3ccccc3)c2s1.
What is the InChIKey of 4,6-diphenyl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole?
The InChIKey is NQHSEFQIONASQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3NS2/c19-18(20,21)17-22-13-14(11-7-3-1-4-8-11)23-15(16(13)24-17)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 4,6-diphenyl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole?
4,6-diphenyl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole has a molecular weight of 361.41 g/mol, XLogP of 6.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole is sourced from PubChem (CID 151241023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).