(5S)-2-[2-(1-fluorocyclohexyl)ethyl]-5-methyl-5-propan-2-yl-1,3-thiazol-4-one

C15H24FNOS — CID 58048111

IUPAC(5S)-2-[2-(1-fluorocyclohexyl)ethyl]-5-methyl-5-propan-2-yl-1,3-thiazol-4-one
SMILESCC(C)[C@]1(C)SC(CCC2(F)CCCCC2)=NC1=O
InChIInChI=1S/C15H24FNOS/c1-11(2)14(3)13(18)17-12(19-14)7-10-15(16)8-5-4-6-9-15/h11H,4-10H2,1-3H3/t14-/m0/s1
InChIKeyJUWZIMVNBCJHQA-AWEZNQCLSA-N
MW285.43 g/mol
LogP4.53
Rot. Bonds4

About (5S)-2-[2-(1-fluorocyclohexyl)ethyl]-5-methyl-5-propan-2-yl-1,3-thiazol-4-one

(5S)-2-[2-(1-fluorocyclohexyl)ethyl]-5-methyl-5-propan-2-yl-1,3-thiazol-4-one (PubChem CID 58048111) has the molecular formula C15H24FNOS and a molecular weight of 285.43 g/mol. Its IUPAC name is (5S)-2-[2-(1-fluorocyclohexyl)ethyl]-5-methyl-5-propan-2-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5S)-2-[2-(1-fluorocyclohexyl)ethyl]-5-methyl-5-propan-2-yl-1,3-thiazol-4-one
PubChem CID58048111
Molecular FormulaC15H24FNOS
Molecular Weight285.43 g/mol
Exact Mass285.16
IUPAC Name(5S)-2-[2-(1-fluorocyclohexyl)ethyl]-5-methyl-5-propan-2-yl-1,3-thiazol-4-one
SMILESCC(C)[C@]1(C)SC(CCC2(F)CCCCC2)=NC1=O
InChIInChI=1S/C15H24FNOS/c1-11(2)14(3)13(18)17-12(19-14)7-10-15(16)8-5-4-6-9-15/h11H,4-10H2,1-3H3/t14-/m0/s1
InChIKeyJUWZIMVNBCJHQA-AWEZNQCLSA-N
XLogP4.53
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-methyl-5-propan-2-yl-1,3-thiazol-4-one
CID 89359026
(5R)-2-[(1-fluorocyclohexyl)methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989108
2-[(5-hydroxy-5-methylcyclooctyl)methyl]-5-methyl-5-propan-2-yl-1,3-thiazol-4-one
CID 58048361
N-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine
CID 126847938
2-(1-fluorocyclohexyl)-N-methylethanamine
CID 84731476
N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 106827227
4-methyl-4-(2-methylpropyl)-1-azaspiro[4.5]decan-2-one
CID 165467434
2-(cyclooctylmethyl)-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazol-4-one
CID 58048080
3,3-dimethyl-oxacyclopentadecan-2-one
CID 71147227
3-(1-fluorocyclohexyl)propanenitrile
CID 84763610
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 112644091
4-methyl-1-(2-methyloxan-2-yl)pentan-1-one
CID 80685770

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[2-(1-fluorocyclohexyl)ethyl]-5-methyl-5-propan-2-yl-1,3-thiazol-4-one?
The IUPAC name of (5S)-2-[2-(1-fluorocyclohexyl)ethyl]-5-methyl-5-propan-2-yl-1,3-thiazol-4-one (CID 58048111) is (5S)-2-[2-(1-fluorocyclohexyl)ethyl]-5-methyl-5-propan-2-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5S)-2-[2-(1-fluorocyclohexyl)ethyl]-5-methyl-5-propan-2-yl-1,3-thiazol-4-one?
The canonical SMILES for (5S)-2-[2-(1-fluorocyclohexyl)ethyl]-5-methyl-5-propan-2-yl-1,3-thiazol-4-one is CC(C)[C@]1(C)SC(CCC2(F)CCCCC2)=NC1=O.
What is the InChIKey of (5S)-2-[2-(1-fluorocyclohexyl)ethyl]-5-methyl-5-propan-2-yl-1,3-thiazol-4-one?
The InChIKey is JUWZIMVNBCJHQA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24FNOS/c1-11(2)14(3)13(18)17-12(19-14)7-10-15(16)8-5-4-6-9-15/h11H,4-10H2,1-3H3/t14-/m0/s1.
What are the key properties of (5S)-2-[2-(1-fluorocyclohexyl)ethyl]-5-methyl-5-propan-2-yl-1,3-thiazol-4-one?
(5S)-2-[2-(1-fluorocyclohexyl)ethyl]-5-methyl-5-propan-2-yl-1,3-thiazol-4-one has a molecular weight of 285.43 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[2-(1-fluorocyclohexyl)ethyl]-5-methyl-5-propan-2-yl-1,3-thiazol-4-one is sourced from PubChem (CID 58048111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).