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

C17H15N3O2S — CID 3157520

IUPACN-[3-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2csc(Nc3cccc(O)c3)n2)c1
InChIInChI=1S/C17H15N3O2S/c1-11(21)18-13-5-2-4-12(8-13)16-10-23-17(20-16)19-14-6-3-7-15(22)9-14/h2-10,22H,1H3,(H,18,21)(H,19,20)
InChIKeyAXERHRTWWHUNGZ-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.22
Rot. Bonds4

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

N-[3-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 3157520) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[3-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID3157520
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-[3-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2csc(Nc3cccc(O)c3)n2)c1
InChIInChI=1S/C17H15N3O2S/c1-11(21)18-13-5-2-4-12(8-13)16-10-23-17(20-16)19-14-6-3-7-15(22)9-14/h2-10,22H,1H3,(H,18,21)(H,19,20)
InChIKeyAXERHRTWWHUNGZ-UHFFFAOYSA-N
XLogP4.22
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]phenyl]acetamide (CID 3157520) is N-[3-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2csc(Nc3cccc(O)c3)n2)c1.
What is the InChIKey of N-[3-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is AXERHRTWWHUNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-11(21)18-13-5-2-4-12(8-13)16-10-23-17(20-16)19-14-6-3-7-15(22)9-14/h2-10,22H,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
N-[3-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 325.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 3157520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).