4-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide

C8H11N3OS2 — CID 163745145

IUPAC4-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide
SMILESCc1cnc(C2CSCN2C(N)=O)s1
InChIInChI=1S/C8H11N3OS2/c1-5-2-10-7(14-5)6-3-13-4-11(6)8(9)12/h2,6H,3-4H2,1H3,(H2,9,12)
InChIKeyLLERCFVSSPOZTO-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.58
Rot. Bonds1

About 4-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide

4-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide (PubChem CID 163745145) has the molecular formula C8H11N3OS2 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name4-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide
PubChem CID163745145
Molecular FormulaC8H11N3OS2
Molecular Weight229.33 g/mol
Exact Mass229.03
IUPAC Name4-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide
SMILESCc1cnc(C2CSCN2C(N)=O)s1
InChIInChI=1S/C8H11N3OS2/c1-5-2-10-7(14-5)6-3-13-4-11(6)8(9)12/h2,6H,3-4H2,1H3,(H2,9,12)
InChIKeyLLERCFVSSPOZTO-UHFFFAOYSA-N
XLogP1.58
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 4-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide (CID 163745145) is 4-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 4-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 4-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide is Cc1cnc(C2CSCN2C(N)=O)s1.
What is the InChIKey of 4-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is LLERCFVSSPOZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS2/c1-5-2-10-7(14-5)6-3-13-4-11(6)8(9)12/h2,6H,3-4H2,1H3,(H2,9,12).
What are the key properties of 4-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide?
4-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 229.33 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 163745145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).