(5R)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-4-ylethyl]imino-1,3-thiazolidin-4-one

C14H19N3OS — CID 135989340

IUPAC(5R)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-4-ylethyl]imino-1,3-thiazolidin-4-one
SMILESCC(C)[C@@]1(C)S/C(=N/[C@H](C)c2ccncc2)NC1=O
InChIInChI=1S/C14H19N3OS/c1-9(2)14(4)12(18)17-13(19-14)16-10(3)11-5-7-15-8-6-11/h5-10H,1-4H3,(H,16,17,18)/t10-,14-/m1/s1
InChIKeyYUHCLYSPSFWULF-QMTHXVAHSA-N
MW277.39 g/mol
LogP2.78
Rot. Bonds3

About (5R)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-4-ylethyl]imino-1,3-thiazolidin-4-one

(5R)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-4-ylethyl]imino-1,3-thiazolidin-4-one (PubChem CID 135989340) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is (5R)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-4-ylethyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-4-ylethyl]imino-1,3-thiazolidin-4-one
PubChem CID135989340
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name(5R)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-4-ylethyl]imino-1,3-thiazolidin-4-one
SMILESCC(C)[C@@]1(C)S/C(=N/[C@H](C)c2ccncc2)NC1=O
InChIInChI=1S/C14H19N3OS/c1-9(2)14(4)12(18)17-13(19-14)16-10(3)11-5-7-15-8-6-11/h5-10H,1-4H3,(H,16,17,18)/t10-,14-/m1/s1
InChIKeyYUHCLYSPSFWULF-QMTHXVAHSA-N
XLogP2.78
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-[(1R)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135513261
(5S)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-2-ylethyl]imino-1,3-thiazolidin-4-one
CID 135999759
(5S)-5-methyl-2-[(1R)-1-(4-methylphenyl)ethyl]imino-5-pyridin-4-yl-1,3-thiazolidin-4-one;(5R)-5-methyl-2-[(1R)-1-(4-methylphenyl)ethyl]imino-5-pyridin-4-yl-1,3-thiazolidin-4-one
CID 159151855
(5S)-5-methyl-2-[(1S)-1-(4-methylphenyl)ethyl]imino-5-pyridin-4-yl-1,3-thiazolidin-4-one
CID 135989664
(5R)-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135513272
2-(1-chloro-2-phenylethyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 173045612
5-methyl-5-propan-2-yl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-one
CID 135989212
(5R)-5-methyl-2-[(1S)-1-phenylethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one;(5S)-5-methyl-2-[(1S)-1-phenylethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 162136213
(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-5-pyridin-2-yl-1,3-thiazolidin-4-one
CID 135989261
5-[difluoro(pyridin-4-yl)methyl]-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one
CID 135989844
5-methyl-2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989331
5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one
CID 135611108

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-4-ylethyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-4-ylethyl]imino-1,3-thiazolidin-4-one (CID 135989340) is (5R)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-4-ylethyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-4-ylethyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-4-ylethyl]imino-1,3-thiazolidin-4-one is CC(C)[C@@]1(C)S/C(=N/[C@H](C)c2ccncc2)NC1=O.
What is the InChIKey of (5R)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-4-ylethyl]imino-1,3-thiazolidin-4-one?
The InChIKey is YUHCLYSPSFWULF-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9(2)14(4)12(18)17-13(19-14)16-10(3)11-5-7-15-8-6-11/h5-10H,1-4H3,(H,16,17,18)/t10-,14-/m1/s1.
What are the key properties of (5R)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-4-ylethyl]imino-1,3-thiazolidin-4-one?
(5R)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-4-ylethyl]imino-1,3-thiazolidin-4-one has a molecular weight of 277.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-4-ylethyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).