N-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide

C8H11N3OS2 — CID 63825882

IUPACN-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1cscn1)C1CSCN1
InChIInChI=1S/C8H11N3OS2/c12-8(7-3-14-5-11-7)9-1-6-2-13-4-10-6/h2,4,7,11H,1,3,5H2,(H,9,12)
InChIKeyZOTCKRKMZLYFCE-UHFFFAOYSA-N
MW229.33 g/mol
LogP0.42
Rot. Bonds3

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

N-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 63825882) has the molecular formula C8H11N3OS2 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID63825882
Molecular FormulaC8H11N3OS2
Molecular Weight229.33 g/mol
Exact Mass229.03
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1cscn1)C1CSCN1
InChIInChI=1S/C8H11N3OS2/c12-8(7-3-14-5-11-7)9-1-6-2-13-4-10-6/h2,4,7,11H,1,3,5H2,(H,9,12)
InChIKeyZOTCKRKMZLYFCE-UHFFFAOYSA-N
XLogP0.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide (CID 63825882) is N-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide is O=C(NCc1cscn1)C1CSCN1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZOTCKRKMZLYFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS2/c12-8(7-3-14-5-11-7)9-1-6-2-13-4-10-6/h2,4,7,11H,1,3,5H2,(H,9,12).
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide?
N-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 229.33 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 63825882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).