N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide

C15H16N2O2S — CID 111540388

IUPACN-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NC(c1nccs1)C1CC1)C(O)c1ccccc1
InChIInChI=1S/C15H16N2O2S/c18-13(11-4-2-1-3-5-11)14(19)17-12(10-6-7-10)15-16-8-9-20-15/h1-5,8-10,12-13,18H,6-7H2,(H,17,19)
InChIKeyNZVMGZSRYHIFIJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.44
Rot. Bonds5

About N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide

N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide (PubChem CID 111540388) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide
PubChem CID111540388
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NC(c1nccs1)C1CC1)C(O)c1ccccc1
InChIInChI=1S/C15H16N2O2S/c18-13(11-4-2-1-3-5-11)14(19)17-12(10-6-7-10)15-16-8-9-20-15/h1-5,8-10,12-13,18H,6-7H2,(H,17,19)
InChIKeyNZVMGZSRYHIFIJ-UHFFFAOYSA-N
XLogP2.44
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide (CID 111540388) is N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide is O=C(NC(c1nccs1)C1CC1)C(O)c1ccccc1.
What is the InChIKey of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is NZVMGZSRYHIFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-13(11-4-2-1-3-5-11)14(19)17-12(10-6-7-10)15-16-8-9-20-15/h1-5,8-10,12-13,18H,6-7H2,(H,17,19).
What are the key properties of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide?
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 288.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 111540388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).