N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide

C9H7F5N2OS — CID 114038199

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(Nc1nc2c(s1)CCC2)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7F5N2OS/c10-8(11,9(12,13)14)6(17)16-7-15-4-2-1-3-5(4)18-7/h1-3H2,(H,15,16,17)
InChIKeyIQOLUMLSYVAPJG-UHFFFAOYSA-N
MW286.23 g/mol
LogP2.77
Rot. Bonds2

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide (PubChem CID 114038199) has the molecular formula C9H7F5N2OS and a molecular weight of 286.23 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide
PubChem CID114038199
Molecular FormulaC9H7F5N2OS
Molecular Weight286.23 g/mol
Exact Mass286.02
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(Nc1nc2c(s1)CCC2)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7F5N2OS/c10-8(11,9(12,13)14)6(17)16-7-15-4-2-1-3-5(4)18-7/h1-3H2,(H,15,16,17)
InChIKeyIQOLUMLSYVAPJG-UHFFFAOYSA-N
XLogP2.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}acetamide
CID 52176015
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclobutanecarboxamide
CID 17395180
2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide
CID 61061255
N-[(2Z)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2(3H)-ylidene]-2,2,2-trifluoroacetamide
CID 942221
2,2,2-trifluoro-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)acetamide
CID 7213224
N-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 16095811
2,2,2-trifluoroethyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 61777907
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 62492179
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 62492183
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709514
3,3,3-trifluoro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 71898447
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 75414994

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide (CID 114038199) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide is O=C(Nc1nc2c(s1)CCC2)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is IQOLUMLSYVAPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2OS/c10-8(11,9(12,13)14)6(17)16-7-15-4-2-1-3-5(4)18-7/h1-3H2,(H,15,16,17).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 286.23 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 114038199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).