5-cyclobutyl-1,3-thiazole-2-carboxamide

C8H10N2OS — CID 22731381

IUPAC5-cyclobutyl-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ncc(C2CCC2)s1
InChIInChI=1S/C8H10N2OS/c9-7(11)8-10-4-6(12-8)5-2-1-3-5/h4-5H,1-3H2,(H2,9,11)
InChIKeyBUEZOFVHIWYBPR-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.51
Rot. Bonds2

About 5-cyclobutyl-1,3-thiazole-2-carboxamide

5-cyclobutyl-1,3-thiazole-2-carboxamide (PubChem CID 22731381) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 5-cyclobutyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-cyclobutyl-1,3-thiazole-2-carboxamide
PubChem CID22731381
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name5-cyclobutyl-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ncc(C2CCC2)s1
InChIInChI=1S/C8H10N2OS/c9-7(11)8-10-4-6(12-8)5-2-1-3-5/h4-5H,1-3H2,(H2,9,11)
InChIKeyBUEZOFVHIWYBPR-UHFFFAOYSA-N
XLogP1.51
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-cyclobutyl-1,3-thiazole-2-carboxamide (CID 22731381) is 5-cyclobutyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-cyclobutyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-cyclobutyl-1,3-thiazole-2-carboxamide is NC(=O)c1ncc(C2CCC2)s1.
What is the InChIKey of 5-cyclobutyl-1,3-thiazole-2-carboxamide?
The InChIKey is BUEZOFVHIWYBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c9-7(11)8-10-4-6(12-8)5-2-1-3-5/h4-5H,1-3H2,(H2,9,11).
What are the key properties of 5-cyclobutyl-1,3-thiazole-2-carboxamide?
5-cyclobutyl-1,3-thiazole-2-carboxamide has a molecular weight of 182.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 22731381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).