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

C9H8F4N2OS — CID 103732219

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(Nc1nc2c(s1)CCC2)C(F)(F)C(F)F
InChIInChI=1S/C9H8F4N2OS/c10-6(11)9(12,13)7(16)15-8-14-4-2-1-3-5(4)17-8/h6H,1-3H2,(H,14,15,16)
InChIKeyZQHLZZVRGIAPDH-UHFFFAOYSA-N
MW268.23 g/mol
LogP2.47
Rot. Bonds3

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

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103732219) has the molecular formula C9H8F4N2OS and a molecular weight of 268.23 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103732219
Molecular FormulaC9H8F4N2OS
Molecular Weight268.23 g/mol
Exact Mass268.03
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(Nc1nc2c(s1)CCC2)C(F)(F)C(F)F
InChIInChI=1S/C9H8F4N2OS/c10-6(11)9(12,13)7(16)15-8-14-4-2-1-3-5(4)17-8/h6H,1-3H2,(H,14,15,16)
InChIKeyZQHLZZVRGIAPDH-UHFFFAOYSA-N
XLogP2.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 52.47
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

N-[1,1,1,3,3,3-hexafluoro-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propan-2-yl]acetamide
CID 4271203
2-chloro-N-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}acetamide
CID 52176015
N-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 16095810
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-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propanamide
CID 894101
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

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-tetrafluoropropanamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide (CID 103732219) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide is O=C(Nc1nc2c(s1)CCC2)C(F)(F)C(F)F.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is ZQHLZZVRGIAPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2OS/c10-6(11)9(12,13)7(16)15-8-14-4-2-1-3-5(4)17-8/h6H,1-3H2,(H,14,15,16).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 268.23 g/mol, XLogP of 2.47, 3 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-tetrafluoropropanamide is sourced from PubChem (CID 103732219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).