N-[4-[2-(2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide

C19H18N2O2S — CID 17426414

IUPACN-[4-[2-(2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCOc1ccccc1-c1nc(-c2ccc(NC(C)=O)cc2)c(C)s1
InChIInChI=1S/C19H18N2O2S/c1-12-18(14-8-10-15(11-9-14)20-13(2)22)21-19(24-12)16-6-4-5-7-17(16)23-3/h4-11H,1-3H3,(H,20,22)
InChIKeyORXWIYVURBDPAI-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.75
Rot. Bonds4

About N-[4-[2-(2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide

N-[4-[2-(2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 17426414) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[4-[2-(2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID17426414
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-[4-[2-(2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCOc1ccccc1-c1nc(-c2ccc(NC(C)=O)cc2)c(C)s1
InChIInChI=1S/C19H18N2O2S/c1-12-18(14-8-10-15(11-9-14)20-13(2)22)21-19(24-12)16-6-4-5-7-17(16)23-3/h4-11H,1-3H3,(H,20,22)
InChIKeyORXWIYVURBDPAI-UHFFFAOYSA-N
XLogP4.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide (CID 17426414) is N-[4-[2-(2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide is COc1ccccc1-c1nc(-c2ccc(NC(C)=O)cc2)c(C)s1.
What is the InChIKey of N-[4-[2-(2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is ORXWIYVURBDPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-12-18(14-8-10-15(11-9-14)20-13(2)22)21-19(24-12)16-6-4-5-7-17(16)23-3/h4-11H,1-3H3,(H,20,22).
What are the key properties of N-[4-[2-(2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[2-(2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 338.43 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 17426414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).