5-fluoro-2-[(1R,3S)-3-methylcyclohexyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one

C13H21FN2OS — CID 136503044

IUPAC5-fluoro-2-[(1R,3S)-3-methylcyclohexyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1(F)S/C(=N/[C@@H]2CCC[C@H](C)C2)NC1=O
InChIInChI=1S/C13H21FN2OS/c1-8(2)13(14)11(17)16-12(18-13)15-10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,13?/m0/s1
InChIKeyOGZMXCPFDKGLFM-RGPRDZHESA-N
MW272.39 g/mol
LogP3.11
Rot. Bonds2

About 5-fluoro-2-[(1R,3S)-3-methylcyclohexyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one

5-fluoro-2-[(1R,3S)-3-methylcyclohexyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 136503044) has the molecular formula C13H21FN2OS and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-fluoro-2-[(1R,3S)-3-methylcyclohexyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-fluoro-2-[(1R,3S)-3-methylcyclohexyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID136503044
Molecular FormulaC13H21FN2OS
Molecular Weight272.39 g/mol
Exact Mass272.14
IUPAC Name5-fluoro-2-[(1R,3S)-3-methylcyclohexyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1(F)S/C(=N/[C@@H]2CCC[C@H](C)C2)NC1=O
InChIInChI=1S/C13H21FN2OS/c1-8(2)13(14)11(17)16-12(18-13)15-10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,13?/m0/s1
InChIKeyOGZMXCPFDKGLFM-RGPRDZHESA-N
XLogP3.11
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-[(1R,3S)-3-methylcyclohexyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one with MolForge

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Related Compounds

Amg-221
CID 135565424
2-(Cyclohexylamino)-5-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783315
2-(Cyclohexylamino)-5-methyl-5-propyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783316
2-[(Cyclohexylmethyl)amino]-5-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783317
2-[(Cyclohexylmethyl)amino]-5-methyl-5-propyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783318
2-(Cycloheptylamino)-5-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783319
2-(Cycloheptylamino)-5-methyl-5-propyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783320
5-Ethyl-5-methyl-2-(7-norbornylamino)-1,3-thiazol-4(5H)-one
CID 135783327
2-{Bicyclo[2.2.1]heptan-7-ylamino}-5-methyl-5-propyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783328
2-(Cyclooctylamino)-5,5-diethyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783333
(R,S)-2-((+/-)-exo-Bicyclo[2.2.1]heptan-2-ylamino)-5-isopropyl-5-methylthiazol-4(5H)-one
CID 135890089
(S)-2-((1R,2R,4S)-Bicyclo[2.2.1]heptan-2-ylamino)-5-isopropyl-5-methylthiazol-4(5H)-one
CID 135890090

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(1R,3S)-3-methylcyclohexyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 5-fluoro-2-[(1R,3S)-3-methylcyclohexyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one (CID 136503044) is 5-fluoro-2-[(1R,3S)-3-methylcyclohexyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-fluoro-2-[(1R,3S)-3-methylcyclohexyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-fluoro-2-[(1R,3S)-3-methylcyclohexyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)C1(F)S/C(=N/[C@@H]2CCC[C@H](C)C2)NC1=O.
What is the InChIKey of 5-fluoro-2-[(1R,3S)-3-methylcyclohexyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is OGZMXCPFDKGLFM-RGPRDZHESA-N. The full InChI is InChI=1S/C13H21FN2OS/c1-8(2)13(14)11(17)16-12(18-13)15-10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,13?/m0/s1.
What are the key properties of 5-fluoro-2-[(1R,3S)-3-methylcyclohexyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one?
5-fluoro-2-[(1R,3S)-3-methylcyclohexyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 272.39 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(1R,3S)-3-methylcyclohexyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 136503044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).