4-methyl-2-pentyl-1,3-thiazolidine

C9H19NS — CID 66219394

IUPAC4-methyl-2-pentyl-1,3-thiazolidine
SMILESCCCCCC1NC(C)CS1
InChIInChI=1S/C9H19NS/c1-3-4-5-6-9-10-8(2)7-11-9/h8-10H,3-7H2,1-2H3
InChIKeyAARDVPMUXRADCM-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.62
Rot. Bonds4

About 4-methyl-2-pentyl-1,3-thiazolidine

4-methyl-2-pentyl-1,3-thiazolidine (PubChem CID 66219394) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 4-methyl-2-pentyl-1,3-thiazolidine.

Molecular Properties

Compound Name4-methyl-2-pentyl-1,3-thiazolidine
PubChem CID66219394
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name4-methyl-2-pentyl-1,3-thiazolidine
SMILESCCCCCC1NC(C)CS1
InChIInChI=1S/C9H19NS/c1-3-4-5-6-9-10-8(2)7-11-9/h8-10H,3-7H2,1-2H3
InChIKeyAARDVPMUXRADCM-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hexyl-4-methyl-1,3-thiazinane
CID 66232199
4-methyl-2-(2-methylsulfanylethyl)-1,3-thiazolidine
CID 66217430
(2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid
CID 97292543
ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate
CID 71371906
4-butyl-2-methyl-6-pentyl-1,3,5-dithiazinane
CID 528748
2-butyl-1,3-thiazolidine-4-carboxylic acid
CID 3132640
2-dodecyl-1,3-thiazinane-4-carboxylic acid
CID 11782043
2-hexyl-1,3-thiazinane-4-carboxylic acid
CID 60919531
2-heptyl-4,4-dimethyl-1,3-thiazolidine
CID 66229686
(2S,5R)-2-methyl-5-pentadecylpyrrolidine
CID 15722672
(2S,5S)-2-methyl-5-nonylpyrrolidine
CID 15722669
4-methyl-2-pentyl-1,3-dithiolane
CID 87588710

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pentyl-1,3-thiazolidine?
The IUPAC name of 4-methyl-2-pentyl-1,3-thiazolidine (CID 66219394) is 4-methyl-2-pentyl-1,3-thiazolidine.
What is the SMILES notation for 4-methyl-2-pentyl-1,3-thiazolidine?
The canonical SMILES for 4-methyl-2-pentyl-1,3-thiazolidine is CCCCCC1NC(C)CS1.
What is the InChIKey of 4-methyl-2-pentyl-1,3-thiazolidine?
The InChIKey is AARDVPMUXRADCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-3-4-5-6-9-10-8(2)7-11-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-methyl-2-pentyl-1,3-thiazolidine?
4-methyl-2-pentyl-1,3-thiazolidine has a molecular weight of 173.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pentyl-1,3-thiazolidine is sourced from PubChem (CID 66219394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).