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

C18H17N3O2S — CID 2062882

IUPACN-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCOc1ccc(-c2csc(Nc3ccc(NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C18H17N3O2S/c1-12(22)19-14-5-7-15(8-6-14)20-18-21-17(11-24-18)13-3-9-16(23-2)10-4-13/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyHQUXMELENZCCDS-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.52
Rot. Bonds5

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

N-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide (PubChem CID 2062882) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
PubChem CID2062882
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCOc1ccc(-c2csc(Nc3ccc(NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C18H17N3O2S/c1-12(22)19-14-5-7-15(8-6-14)20-18-21-17(11-24-18)13-3-9-16(23-2)10-4-13/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyHQUXMELENZCCDS-UHFFFAOYSA-N
XLogP4.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide (CID 2062882) is N-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide is COc1ccc(-c2csc(Nc3ccc(NC(C)=O)cc3)n2)cc1.
What is the InChIKey of N-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The InChIKey is HQUXMELENZCCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12(22)19-14-5-7-15(8-6-14)20-18-21-17(11-24-18)13-3-9-16(23-2)10-4-13/h3-11H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
N-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 2062882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).