N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide

C15H16N2O2S — CID 32865071

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C15H16N2O2S/c1-19-12-6-2-10(3-7-12)8-14(18)17-15-16-13(9-20-15)11-4-5-11/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,16,17,18)
InChIKeyALUJOOWFTTUHFJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.21
Rot. Bonds5

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 32865071) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID32865071
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C15H16N2O2S/c1-19-12-6-2-10(3-7-12)8-14(18)17-15-16-13(9-20-15)11-4-5-11/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,16,17,18)
InChIKeyALUJOOWFTTUHFJ-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide (CID 32865071) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2nc(C3CC3)cs2)cc1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is ALUJOOWFTTUHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-19-12-6-2-10(3-7-12)8-14(18)17-15-16-13(9-20-15)11-4-5-11/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,16,17,18).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 288.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 32865071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).