N-(4,4-difluoro-1-hydroxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide

C11H14F2N2O2S — CID 166237557

IUPACN-(4,4-difluoro-1-hydroxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
SMILESO=C(NC(CO)CC(F)F)c1nc2c(s1)CCC2
InChIInChI=1S/C11H14F2N2O2S/c12-9(13)4-6(5-16)14-10(17)11-15-7-2-1-3-8(7)18-11/h6,9,16H,1-5H2,(H,14,17)
InChIKeyNLIXLSREMVDKAZ-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.38
Rot. Bonds5

About N-(4,4-difluoro-1-hydroxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide

N-(4,4-difluoro-1-hydroxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide (PubChem CID 166237557) has the molecular formula C11H14F2N2O2S and a molecular weight of 276.31 g/mol. Its IUPAC name is N-(4,4-difluoro-1-hydroxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluoro-1-hydroxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
PubChem CID166237557
Molecular FormulaC11H14F2N2O2S
Molecular Weight276.31 g/mol
Exact Mass276.07
IUPAC NameN-(4,4-difluoro-1-hydroxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
SMILESO=C(NC(CO)CC(F)F)c1nc2c(s1)CCC2
InChIInChI=1S/C11H14F2N2O2S/c12-9(13)4-6(5-16)14-10(17)11-15-7-2-1-3-8(7)18-11/h6,9,16H,1-5H2,(H,14,17)
InChIKeyNLIXLSREMVDKAZ-UHFFFAOYSA-N
XLogP1.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4,4-difluoro-1-hydroxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
CID 164634350
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 110461280
N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
CID 154842851
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)ethanol
CID 46784920
2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]ethanol
CID 46784927
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(piperazin-1-yl)methanone
CID 82510951
2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)acetamide
CID 83623315
(2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methoxypropan-1-ol
CID 100624433
(2R)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methoxypropan-1-ol
CID 100624445
(2S)-2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]propan-1-ol
CID 103874846
(2R)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)propan-1-ol
CID 103896926
(2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methylbutan-1-ol
CID 103897153

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluoro-1-hydroxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide?
The IUPAC name of N-(4,4-difluoro-1-hydroxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide (CID 166237557) is N-(4,4-difluoro-1-hydroxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-(4,4-difluoro-1-hydroxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-(4,4-difluoro-1-hydroxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide is O=C(NC(CO)CC(F)F)c1nc2c(s1)CCC2.
What is the InChIKey of N-(4,4-difluoro-1-hydroxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide?
The InChIKey is NLIXLSREMVDKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2S/c12-9(13)4-6(5-16)14-10(17)11-15-7-2-1-3-8(7)18-11/h6,9,16H,1-5H2,(H,14,17).
What are the key properties of N-(4,4-difluoro-1-hydroxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide?
N-(4,4-difluoro-1-hydroxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluoro-1-hydroxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 166237557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).