(5R)-2-[(1-fluorocyclohexyl)methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one

C14H23FN2OS — CID 135989108

IUPAC(5R)-2-[(1-fluorocyclohexyl)methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)[C@@]1(C)S/C(=N/CC2(F)CCCCC2)NC1=O
InChIInChI=1S/C14H23FN2OS/c1-10(2)13(3)11(18)17-12(19-13)16-9-14(15)7-5-4-6-8-14/h10H,4-9H2,1-3H3,(H,16,17,18)/t13-/m1/s1
InChIKeyUBHRWTXOIVACRT-CYBMUJFWSA-N
MW286.42 g/mol
LogP3.29
Rot. Bonds3

About (5R)-2-[(1-fluorocyclohexyl)methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one

(5R)-2-[(1-fluorocyclohexyl)methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 135989108) has the molecular formula C14H23FN2OS and a molecular weight of 286.42 g/mol. Its IUPAC name is (5R)-2-[(1-fluorocyclohexyl)methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-2-[(1-fluorocyclohexyl)methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID135989108
Molecular FormulaC14H23FN2OS
Molecular Weight286.42 g/mol
Exact Mass286.15
IUPAC Name(5R)-2-[(1-fluorocyclohexyl)methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)[C@@]1(C)S/C(=N/CC2(F)CCCCC2)NC1=O
InChIInChI=1S/C14H23FN2OS/c1-10(2)13(3)11(18)17-12(19-13)16-9-14(15)7-5-4-6-8-14/h10H,4-9H2,1-3H3,(H,16,17,18)/t13-/m1/s1
InChIKeyUBHRWTXOIVACRT-CYBMUJFWSA-N
XLogP3.29
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5S)-2-[2-(1-fluorocyclohexyl)ethyl]-5-methyl-5-propan-2-yl-1,3-thiazol-4-one
CID 58048111
5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135611137
(5R)-5-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one
CID 135989254
5-methyl-2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989331
5-methyl-2-[(1R)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135513261
5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135513260
(5R)-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135513272
(5S)-5-methyl-5-propan-2-yl-2-[(1S)-2,2,2-trifluoro-1-phenylethyl]imino-1,3-thiazolidin-4-one
CID 135989491
2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 136601977
2-[(1S)-1-(2-ethylphenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 136626656
5-methyl-5-propan-2-yl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]imino-1,3-thiazolidin-4-one
CID 135611142
(5R)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-4-ylethyl]imino-1,3-thiazolidin-4-one
CID 135989340

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(1-fluorocyclohexyl)methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-2-[(1-fluorocyclohexyl)methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one (CID 135989108) is (5R)-2-[(1-fluorocyclohexyl)methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-2-[(1-fluorocyclohexyl)methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-2-[(1-fluorocyclohexyl)methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)[C@@]1(C)S/C(=N/CC2(F)CCCCC2)NC1=O.
What is the InChIKey of (5R)-2-[(1-fluorocyclohexyl)methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is UBHRWTXOIVACRT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23FN2OS/c1-10(2)13(3)11(18)17-12(19-13)16-9-14(15)7-5-4-6-8-14/h10H,4-9H2,1-3H3,(H,16,17,18)/t13-/m1/s1.
What are the key properties of (5R)-2-[(1-fluorocyclohexyl)methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
(5R)-2-[(1-fluorocyclohexyl)methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 286.42 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[(1-fluorocyclohexyl)methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).