N-(oxan-2-yl)-1,3-thiazolidine-3-carboxamide

C9H16N2O2S — CID 141137162

IUPACN-(oxan-2-yl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(NC1CCCCO1)N1CCSC1
InChIInChI=1S/C9H16N2O2S/c12-9(11-4-6-14-7-11)10-8-3-1-2-5-13-8/h8H,1-7H2,(H,10,12)
InChIKeyCZZPMWVZRAXHOK-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.23
Rot. Bonds1

About N-(oxan-2-yl)-1,3-thiazolidine-3-carboxamide

N-(oxan-2-yl)-1,3-thiazolidine-3-carboxamide (PubChem CID 141137162) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-(oxan-2-yl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-2-yl)-1,3-thiazolidine-3-carboxamide
PubChem CID141137162
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-(oxan-2-yl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(NC1CCCCO1)N1CCSC1
InChIInChI=1S/C9H16N2O2S/c12-9(11-4-6-14-7-11)10-8-3-1-2-5-13-8/h8H,1-7H2,(H,10,12)
InChIKeyCZZPMWVZRAXHOK-UHFFFAOYSA-N
XLogP1.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-yl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(oxan-2-yl)-1,3-thiazolidine-3-carboxamide (CID 141137162) is N-(oxan-2-yl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(oxan-2-yl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(oxan-2-yl)-1,3-thiazolidine-3-carboxamide is O=C(NC1CCCCO1)N1CCSC1.
What is the InChIKey of N-(oxan-2-yl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is CZZPMWVZRAXHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c12-9(11-4-6-14-7-11)10-8-3-1-2-5-13-8/h8H,1-7H2,(H,10,12).
What are the key properties of N-(oxan-2-yl)-1,3-thiazolidine-3-carboxamide?
N-(oxan-2-yl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 216.31 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-yl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 141137162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).