N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide

C18H15BrN2O2S — CID 1361365

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C18H15BrN2O2S/c1-12-4-2-3-5-16(12)23-10-17(22)21-18-20-15(11-24-18)13-6-8-14(19)9-7-13/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyCCSHAUVKXWCIPA-UHFFFAOYSA-N
MW403.30 g/mol
LogP4.90
Rot. Bonds5

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 1361365) has the molecular formula C18H15BrN2O2S and a molecular weight of 403.30 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
PubChem CID1361365
Molecular FormulaC18H15BrN2O2S
Molecular Weight403.30 g/mol
Exact Mass402.00
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C18H15BrN2O2S/c1-12-4-2-3-5-16(12)23-10-17(22)21-18-20-15(11-24-18)13-6-8-14(19)9-7-13/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyCCSHAUVKXWCIPA-UHFFFAOYSA-N
XLogP4.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide (CID 1361365) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is CCSHAUVKXWCIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2S/c1-12-4-2-3-5-16(12)23-10-17(22)21-18-20-15(11-24-18)13-6-8-14(19)9-7-13/h2-9,11H,10H2,1H3,(H,20,21,22).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 403.30 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 1361365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).