N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide

C12H17N3OS2 — CID 119271144

IUPACN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC1CCc2nc(NC(=O)C3CSCN3)sc2C1
InChIInChI=1S/C12H17N3OS2/c1-7-2-3-8-10(4-7)18-12(14-8)15-11(16)9-5-17-6-13-9/h7,9,13H,2-6H2,1H3,(H,14,15,16)
InChIKeyJLJHDBIUSWJVHQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.87
Rot. Bonds2

About N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 119271144) has the molecular formula C12H17N3OS2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID119271144
Molecular FormulaC12H17N3OS2
Molecular Weight283.42 g/mol
Exact Mass283.08
IUPAC NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC1CCc2nc(NC(=O)C3CSCN3)sc2C1
InChIInChI=1S/C12H17N3OS2/c1-7-2-3-8-10(4-7)18-12(14-8)15-11(16)9-5-17-6-13-9/h7,9,13H,2-6H2,1H3,(H,14,15,16)
InChIKeyJLJHDBIUSWJVHQ-UHFFFAOYSA-N
XLogP1.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide (CID 119271144) is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide is CC1CCc2nc(NC(=O)C3CSCN3)sc2C1.
What is the InChIKey of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is JLJHDBIUSWJVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS2/c1-7-2-3-8-10(4-7)18-12(14-8)15-11(16)9-5-17-6-13-9/h7,9,13H,2-6H2,1H3,(H,14,15,16).
What are the key properties of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide?
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119271144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).