N-(oxolan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide

C9H16N2O2S — CID 24692901

IUPACN-(oxolan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CSCN1
InChIInChI=1S/C9H16N2O2S/c12-9(8-5-14-6-11-8)10-4-7-2-1-3-13-7/h7-8,11H,1-6H2,(H,10,12)
InChIKeyKHIARCRYNJZXAG-UHFFFAOYSA-N
MW216.31 g/mol
LogP-0.06
Rot. Bonds3

About N-(oxolan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide

N-(oxolan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 24692901) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID24692901
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-(oxolan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CSCN1
InChIInChI=1S/C9H16N2O2S/c12-9(8-5-14-6-11-8)10-4-7-2-1-3-13-7/h7-8,11H,1-6H2,(H,10,12)
InChIKeyKHIARCRYNJZXAG-UHFFFAOYSA-N
XLogP-0.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide (CID 24692901) is N-(oxolan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide is O=C(NCC1CCCO1)C1CSCN1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is KHIARCRYNJZXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c12-9(8-5-14-6-11-8)10-4-7-2-1-3-13-7/h7-8,11H,1-6H2,(H,10,12).
What are the key properties of N-(oxolan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
N-(oxolan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 216.31 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 24692901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).