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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Related Compounds

1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111506905
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]urea
CID 71992541
2-phenyl-2-(1,3-thiazol-2-yl)acetic acid
CID 115006319
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 95907898
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 71985733
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 126784853
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 95968029
4-cyclopropyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 75375387
1-cyclopropyl-3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea
CID 71925622
(R)-phenyl(1,3-thiazol-2-yl)methanol
CID 10511917
N-[cyclopropyl(phenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 86919337
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 100895196

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).