1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one

C18H27NOS — CID 7415161

IUPAC1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
SMILESCCCCC(=O)N1CCS[C@@H]1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H27NOS/c1-5-6-7-16(20)19-12-13-21-17(19)14-8-10-15(11-9-14)18(2,3)4/h8-11,17H,5-7,12-13H2,1-4H3/t17-/m1/s1
InChIKeyRLQWLVFKFCPFLE-QGZVFWFLSA-N
MW305.49 g/mol
LogP4.75
Rot. Bonds4

About 1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one

1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one (PubChem CID 7415161) has the molecular formula C18H27NOS and a molecular weight of 305.49 g/mol. Its IUPAC name is 1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
PubChem CID7415161
Molecular FormulaC18H27NOS
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
SMILESCCCCC(=O)N1CCS[C@@H]1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H27NOS/c1-5-6-7-16(20)19-12-13-21-17(19)14-8-10-15(11-9-14)18(2,3)4/h8-11,17H,5-7,12-13H2,1-4H3/t17-/m1/s1
InChIKeyRLQWLVFKFCPFLE-QGZVFWFLSA-N
XLogP4.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one
CID 4163378
1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]nonan-1-one
CID 5237084
1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 4076126
1-[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7263285
1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7263286
1-[(2S)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7365110
1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone
CID 42781042
1-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]octan-1-one
CID 4160928
[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 4058369
1-[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]heptan-1-one
CID 7301739
(2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025251
1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]dodecan-1-one
CID 42665401

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one?
The IUPAC name of 1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one (CID 7415161) is 1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one.
What is the SMILES notation for 1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one?
The canonical SMILES for 1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one is CCCCC(=O)N1CCS[C@@H]1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one?
The InChIKey is RLQWLVFKFCPFLE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27NOS/c1-5-6-7-16(20)19-12-13-21-17(19)14-8-10-15(11-9-14)18(2,3)4/h8-11,17H,5-7,12-13H2,1-4H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one?
1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one has a molecular weight of 305.49 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one is sourced from PubChem (CID 7415161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).