N-butyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide

C10H20N2O2S — CID 60945985

IUPACN-butyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCCN(CCO)C(=O)C1CSCN1
InChIInChI=1S/C10H20N2O2S/c1-2-3-4-12(5-6-13)10(14)9-7-15-8-11-9/h9,11,13H,2-8H2,1H3
InChIKeyPTMBYVXEWHAYFA-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.27
Rot. Bonds6

About N-butyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide

N-butyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 60945985) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID60945985
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-butyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCCN(CCO)C(=O)C1CSCN1
InChIInChI=1S/C10H20N2O2S/c1-2-3-4-12(5-6-13)10(14)9-7-15-8-11-9/h9,11,13H,2-8H2,1H3
InChIKeyPTMBYVXEWHAYFA-UHFFFAOYSA-N
XLogP0.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide (CID 60945985) is N-butyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide is CCCCN(CCO)C(=O)C1CSCN1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is PTMBYVXEWHAYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-2-3-4-12(5-6-13)10(14)9-7-15-8-11-9/h9,11,13H,2-8H2,1H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide?
N-butyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 232.35 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 60945985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).