2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxamide

C9H11N3O2S — CID 22262845

IUPAC2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)C2CCC2)s1
InChIInChI=1S/C9H11N3O2S/c10-7(13)6-4-11-9(15-6)12-8(14)5-2-1-3-5/h4-5H,1-3H2,(H2,10,13)(H,11,12,14)
InChIKeyZOEOLPVYSYNNNW-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.98
Rot. Bonds3

About 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxamide

2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxamide (PubChem CID 22262845) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxamide
PubChem CID22262845
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)C2CCC2)s1
InChIInChI=1S/C9H11N3O2S/c10-7(13)6-4-11-9(15-6)12-8(14)5-2-1-3-5/h4-5H,1-3H2,(H2,10,13)(H,11,12,14)
InChIKeyZOEOLPVYSYNNNW-UHFFFAOYSA-N
XLogP0.98
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxamide (CID 22262845) is 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(NC(=O)C2CCC2)s1.
What is the InChIKey of 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is ZOEOLPVYSYNNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c10-7(13)6-4-11-9(15-6)12-8(14)5-2-1-3-5/h4-5H,1-3H2,(H2,10,13)(H,11,12,14).
What are the key properties of 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxamide?
2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 225.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 22262845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).