(4R)-2-propyl-1,3-thiazolidine-4-carbaldehyde

C7H13NOS — CID 59154033

IUPAC(4R)-2-propyl-1,3-thiazolidine-4-carbaldehyde
SMILESCCCC1N[C@H](C=O)CS1
InChIInChI=1S/C7H13NOS/c1-2-3-7-8-6(4-9)5-10-7/h4,6-8H,2-3,5H2,1H3/t6-,7?/m1/s1
InChIKeyNAZKVYKMMOBKIM-ULUSZKPHSA-N
MW159.25 g/mol
LogP1.02
Rot. Bonds3

About (4R)-2-propyl-1,3-thiazolidine-4-carbaldehyde

(4R)-2-propyl-1,3-thiazolidine-4-carbaldehyde (PubChem CID 59154033) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is (4R)-2-propyl-1,3-thiazolidine-4-carbaldehyde.

Molecular Properties

Compound Name(4R)-2-propyl-1,3-thiazolidine-4-carbaldehyde
PubChem CID59154033
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name(4R)-2-propyl-1,3-thiazolidine-4-carbaldehyde
SMILESCCCC1N[C@H](C=O)CS1
InChIInChI=1S/C7H13NOS/c1-2-3-7-8-6(4-9)5-10-7/h4,6-8H,2-3,5H2,1H3/t6-,7?/m1/s1
InChIKeyNAZKVYKMMOBKIM-ULUSZKPHSA-N
XLogP1.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,4R)-2-propyl-1,3-thiazolidine-4-carboxylate
CID 101131834
CID 158584528
CID 158584528
4-methyl-2-pentyl-1,3-thiazolidine
CID 66219394
2-butyl-1,3-thiazolidine-4-carboxylic acid
CID 3132640
(2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid
CID 97292543
6-butyl-4-methylpiperidine-2-carbaldehyde
CID 174380729
3-butyl-4,5-dihydro-1H-pyrazole-5-carbaldehyde
CID 174378274
(2R,3S)-2,3-dipropylaziridine
CID 55299742
ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate
CID 71371906
2,4-diethyl-1,3-thiazolidine
CID 66229819
4-ethyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 66230749
4-methyl-2-(2-methylsulfanylethyl)-1,3-thiazolidine
CID 66217430

Frequently Asked Questions

What is the IUPAC name of (4R)-2-propyl-1,3-thiazolidine-4-carbaldehyde?
The IUPAC name of (4R)-2-propyl-1,3-thiazolidine-4-carbaldehyde (CID 59154033) is (4R)-2-propyl-1,3-thiazolidine-4-carbaldehyde.
What is the SMILES notation for (4R)-2-propyl-1,3-thiazolidine-4-carbaldehyde?
The canonical SMILES for (4R)-2-propyl-1,3-thiazolidine-4-carbaldehyde is CCCC1N[C@H](C=O)CS1.
What is the InChIKey of (4R)-2-propyl-1,3-thiazolidine-4-carbaldehyde?
The InChIKey is NAZKVYKMMOBKIM-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H13NOS/c1-2-3-7-8-6(4-9)5-10-7/h4,6-8H,2-3,5H2,1H3/t6-,7?/m1/s1.
What are the key properties of (4R)-2-propyl-1,3-thiazolidine-4-carbaldehyde?
(4R)-2-propyl-1,3-thiazolidine-4-carbaldehyde has a molecular weight of 159.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-propyl-1,3-thiazolidine-4-carbaldehyde is sourced from PubChem (CID 59154033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).