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

C13H22N2O2S2 — CID 54871479

IUPACN-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(C1CSCN1)N(CC1CCCO1)C1CCSC1
InChIInChI=1S/C13H22N2O2S2/c16-13(12-8-19-9-14-12)15(10-3-5-18-7-10)6-11-2-1-4-17-11/h10-12,14H,1-9H2
InChIKeyXCSRKMSXVCUGQE-UHFFFAOYSA-N
MW302.47 g/mol
LogP1.16
Rot. Bonds4

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

N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 54871479) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID54871479
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC NameN-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(C1CSCN1)N(CC1CCCO1)C1CCSC1
InChIInChI=1S/C13H22N2O2S2/c16-13(12-8-19-9-14-12)15(10-3-5-18-7-10)6-11-2-1-4-17-11/h10-12,14H,1-9H2
InChIKeyXCSRKMSXVCUGQE-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3-thiazolidine-4-carboxamide (CID 54871479) is N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3-thiazolidine-4-carboxamide is O=C(C1CSCN1)N(CC1CCCO1)C1CCSC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is XCSRKMSXVCUGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c16-13(12-8-19-9-14-12)15(10-3-5-18-7-10)6-11-2-1-4-17-11/h10-12,14H,1-9H2.
What are the key properties of N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3-thiazolidine-4-carboxamide?
N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 302.47 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 54871479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).