2-(3-hydroxyazetidin-1-yl)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide

C10H15N3O3S — CID 22242865

IUPAC2-(3-hydroxyazetidin-1-yl)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CCO)C(=O)c1csc(N2CC(O)C2)n1
InChIInChI=1S/C10H15N3O3S/c1-12(2-3-14)9(16)8-6-17-10(11-8)13-4-7(15)5-13/h6-7,14-15H,2-5H2,1H3
InChIKeyPMMMMXMNCQUSRG-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.61
Rot. Bonds4

About 2-(3-hydroxyazetidin-1-yl)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide

2-(3-hydroxyazetidin-1-yl)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 22242865) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(3-hydroxyazetidin-1-yl)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-hydroxyazetidin-1-yl)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID22242865
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-(3-hydroxyazetidin-1-yl)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CCO)C(=O)c1csc(N2CC(O)C2)n1
InChIInChI=1S/C10H15N3O3S/c1-12(2-3-14)9(16)8-6-17-10(11-8)13-4-7(15)5-13/h6-7,14-15H,2-5H2,1H3
InChIKeyPMMMMXMNCQUSRG-UHFFFAOYSA-N
XLogP-0.61
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyazetidin-1-yl)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-hydroxyazetidin-1-yl)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 22242865) is 2-(3-hydroxyazetidin-1-yl)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-hydroxyazetidin-1-yl)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-hydroxyazetidin-1-yl)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide is CN(CCO)C(=O)c1csc(N2CC(O)C2)n1.
What is the InChIKey of 2-(3-hydroxyazetidin-1-yl)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is PMMMMXMNCQUSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-12(2-3-14)9(16)8-6-17-10(11-8)13-4-7(15)5-13/h6-7,14-15H,2-5H2,1H3.
What are the key properties of 2-(3-hydroxyazetidin-1-yl)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide?
2-(3-hydroxyazetidin-1-yl)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 257.31 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyazetidin-1-yl)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 22242865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).