N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide

C15H16N2O2S — CID 830441

IUPACN-[4-(phenoxymethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
SMILESO=C(Nc1nc(COc2ccccc2)cs1)C1CCC1
InChIInChI=1S/C15H16N2O2S/c18-14(11-5-4-6-11)17-15-16-12(10-20-15)9-19-13-7-2-1-3-8-13/h1-3,7-8,10-11H,4-6,9H2,(H,16,17,18)
InChIKeyQPXMBFJVGALVDK-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.46
Rot. Bonds5

About N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide

N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide (PubChem CID 830441) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-(phenoxymethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
PubChem CID830441
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-[4-(phenoxymethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
SMILESO=C(Nc1nc(COc2ccccc2)cs1)C1CCC1
InChIInChI=1S/C15H16N2O2S/c18-14(11-5-4-6-11)17-15-16-12(10-20-15)9-19-13-7-2-1-3-8-13/h1-3,7-8,10-11H,4-6,9H2,(H,16,17,18)
InChIKeyQPXMBFJVGALVDK-UHFFFAOYSA-N
XLogP3.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Phenoxymethyl)-1,3-thiazol-2-amine
CID 2050028
Ethyl (2-{[(4-methylphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 2066145
N-[4-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-thiazol-2-yl]-acetamide
CID 3155495
{2-[2-(4-Methoxy-phenoxy)-acetylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 986301
Ethyl 2-[2-[(2-phenoxyacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 2066144
2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2679294
N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]acetamide
CID 2940526
3-(2-methoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2522764
2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2970521
N-[4-(phenoxymethyl)-2-thiazolyl]-1-adamantanecarboxamide
CID 4083896
N-Hydroxy-2-[2-(2-phenoxy-acetylamino)-thiazol-4-yl]-acetamide
CID 44397327
N-(4,5-dimethylthiazol-2-yl)-4-phenoxy-butanamide
CID 2480904

Frequently Asked Questions

What is the IUPAC name of N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide (CID 830441) is N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide is O=C(Nc1nc(COc2ccccc2)cs1)C1CCC1.
What is the InChIKey of N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The InChIKey is QPXMBFJVGALVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-14(11-5-4-6-11)17-15-16-12(10-20-15)9-19-13-7-2-1-3-8-13/h1-3,7-8,10-11H,4-6,9H2,(H,16,17,18).
What are the key properties of N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide has a molecular weight of 288.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 830441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).