2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide

C7H10N4OS — CID 134429966

IUPAC2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CC(N)C2)s1
InChIInChI=1S/C7H10N4OS/c8-4-2-11(3-4)7-10-1-5(13-7)6(9)12/h1,4H,2-3,8H2,(H2,9,12)
InChIKeyYMTZGCMKNHHVGB-UHFFFAOYSA-N
MW198.25 g/mol
LogP-0.61
Rot. Bonds2

About 2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide

2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 134429966) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID134429966
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC Name2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CC(N)C2)s1
InChIInChI=1S/C7H10N4OS/c8-4-2-11(3-4)7-10-1-5(13-7)6(9)12/h1,4H,2-3,8H2,(H2,9,12)
InChIKeyYMTZGCMKNHHVGB-UHFFFAOYSA-N
XLogP-0.61
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide (CID 134429966) is 2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(N2CC(N)C2)s1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is YMTZGCMKNHHVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c8-4-2-11(3-4)7-10-1-5(13-7)6(9)12/h1,4H,2-3,8H2,(H2,9,12).
What are the key properties of 2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide?
2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 198.25 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 134429966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).