N-[(3-methoxyphenyl)-[4-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]acetamide

C20H20N2O2S — CID 46943546

IUPACN-[(3-methoxyphenyl)-[4-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCOc1cccc(C(NC(C)=O)c2nc(-c3ccccc3C)cs2)c1
InChIInChI=1S/C20H20N2O2S/c1-13-7-4-5-10-17(13)18-12-25-20(22-18)19(21-14(2)23)15-8-6-9-16(11-15)24-3/h4-12,19H,1-3H3,(H,21,23)
InChIKeyNFEMSMQIOSTDMV-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.35
Rot. Bonds5

About N-[(3-methoxyphenyl)-[4-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]acetamide

N-[(3-methoxyphenyl)-[4-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 46943546) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)-[4-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)-[4-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID46943546
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-[(3-methoxyphenyl)-[4-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCOc1cccc(C(NC(C)=O)c2nc(-c3ccccc3C)cs2)c1
InChIInChI=1S/C20H20N2O2S/c1-13-7-4-5-10-17(13)18-12-25-20(22-18)19(21-14(2)23)15-8-6-9-16(11-15)24-3/h4-12,19H,1-3H3,(H,21,23)
InChIKeyNFEMSMQIOSTDMV-UHFFFAOYSA-N
XLogP4.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)-[4-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]acetamide?
The IUPAC name of N-[(3-methoxyphenyl)-[4-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]acetamide (CID 46943546) is N-[(3-methoxyphenyl)-[4-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)-[4-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)-[4-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]acetamide is COc1cccc(C(NC(C)=O)c2nc(-c3ccccc3C)cs2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)-[4-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]acetamide?
The InChIKey is NFEMSMQIOSTDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-13-7-4-5-10-17(13)18-12-25-20(22-18)19(21-14(2)23)15-8-6-9-16(11-15)24-3/h4-12,19H,1-3H3,(H,21,23).
What are the key properties of N-[(3-methoxyphenyl)-[4-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]acetamide?
N-[(3-methoxyphenyl)-[4-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 352.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)-[4-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 46943546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).