(4S)-N-(3-ethoxypropyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide

C14H26N2O3S — CID 94822473

IUPAC(4S)-N-(3-ethoxypropyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide
SMILESCCOCCCNC(=O)[C@H]1CSCN1C(=O)[C@H](C)CC
InChIInChI=1S/C14H26N2O3S/c1-4-11(3)14(18)16-10-20-9-12(16)13(17)15-7-6-8-19-5-2/h11-12H,4-10H2,1-3H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyWWVWWAQQOBPNTO-VXGBXAGGSA-N
MW302.44 g/mol
LogP1.48
Rot. Bonds8

About (4S)-N-(3-ethoxypropyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide

(4S)-N-(3-ethoxypropyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 94822473) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is (4S)-N-(3-ethoxypropyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(3-ethoxypropyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide
PubChem CID94822473
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name(4S)-N-(3-ethoxypropyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide
SMILESCCOCCCNC(=O)[C@H]1CSCN1C(=O)[C@H](C)CC
InChIInChI=1S/C14H26N2O3S/c1-4-11(3)14(18)16-10-20-9-12(16)13(17)15-7-6-8-19-5-2/h11-12H,4-10H2,1-3H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyWWVWWAQQOBPNTO-VXGBXAGGSA-N
XLogP1.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-(3-ethoxypropyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(3-ethoxypropyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide (CID 94822473) is (4S)-N-(3-ethoxypropyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(3-ethoxypropyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(3-ethoxypropyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide is CCOCCCNC(=O)[C@H]1CSCN1C(=O)[C@H](C)CC.
What is the InChIKey of (4S)-N-(3-ethoxypropyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is WWVWWAQQOBPNTO-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-4-11(3)14(18)16-10-20-9-12(16)13(17)15-7-6-8-19-5-2/h11-12H,4-10H2,1-3H3,(H,15,17)/t11-,12-/m1/s1.
What are the key properties of (4S)-N-(3-ethoxypropyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide?
(4S)-N-(3-ethoxypropyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(3-ethoxypropyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 94822473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).