[2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone

C10H5F5N2OS2 — CID 91926726

IUPAC[2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone
SMILESNc1nc(C(F)(F)C(F)(F)F)c(C(=O)c2cccs2)s1
InChIInChI=1S/C10H5F5N2OS2/c11-9(12,10(13,14)15)7-6(20-8(16)17-7)5(18)4-2-1-3-19-4/h1-3H,(H2,16,17)
InChIKeySRHSQCOOATZTRZ-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.67
Rot. Bonds3

About [2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone

[2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone (PubChem CID 91926726) has the molecular formula C10H5F5N2OS2 and a molecular weight of 328.29 g/mol. Its IUPAC name is [2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone
PubChem CID91926726
Molecular FormulaC10H5F5N2OS2
Molecular Weight328.29 g/mol
Exact Mass327.98
IUPAC Name[2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone
SMILESNc1nc(C(F)(F)C(F)(F)F)c(C(=O)c2cccs2)s1
InChIInChI=1S/C10H5F5N2OS2/c11-9(12,10(13,14)15)7-6(20-8(16)17-7)5(18)4-2-1-3-19-4/h1-3H,(H2,16,17)
InChIKeySRHSQCOOATZTRZ-UHFFFAOYSA-N
XLogP3.67
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one
CID 103749127
2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one
CID 116593132
(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone
CID 11550150
(4-bromophenyl)-[2-chloro-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]methanone
CID 91926418
(3-chlorothiophen-2-yl)-thiophen-2-ylmethanone
CID 80529755
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
CID 23943421
[5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone
CID 102424317
(2-amino-1,3-oxazol-5-yl)-thiophen-2-ylmethanone
CID 69356874
[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
CID 23859670
3-(5-amino-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylpropan-1-one
CID 50994805
thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 116628410

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone (CID 91926726) is [2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone is Nc1nc(C(F)(F)C(F)(F)F)c(C(=O)c2cccs2)s1.
What is the InChIKey of [2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone?
The InChIKey is SRHSQCOOATZTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F5N2OS2/c11-9(12,10(13,14)15)7-6(20-8(16)17-7)5(18)4-2-1-3-19-4/h1-3H,(H2,16,17).
What are the key properties of [2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone?
[2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone has a molecular weight of 328.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 91926726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).