2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide

C18H17N3O2S — CID 117087501

IUPAC2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESNc1cccc(-c2ncc(C(=O)NCCc3ccc(O)cc3)s2)c1
InChIInChI=1S/C18H17N3O2S/c19-14-3-1-2-13(10-14)18-21-11-16(24-18)17(23)20-9-8-12-4-6-15(22)7-5-12/h1-7,10-11,22H,8-9,19H2,(H,20,23)
InChIKeyFTJMKUMQPGFUFE-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.07
Rot. Bonds5

About 2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide

2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 117087501) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID117087501
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESNc1cccc(-c2ncc(C(=O)NCCc3ccc(O)cc3)s2)c1
InChIInChI=1S/C18H17N3O2S/c19-14-3-1-2-13(10-14)18-21-11-16(24-18)17(23)20-9-8-12-4-6-15(22)7-5-12/h1-7,10-11,22H,8-9,19H2,(H,20,23)
InChIKeyFTJMKUMQPGFUFE-UHFFFAOYSA-N
XLogP3.07
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide (CID 117087501) is 2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide is Nc1cccc(-c2ncc(C(=O)NCCc3ccc(O)cc3)s2)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FTJMKUMQPGFUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c19-14-3-1-2-13(10-14)18-21-11-16(24-18)17(23)20-9-8-12-4-6-15(22)7-5-12/h1-7,10-11,22H,8-9,19H2,(H,20,23).
What are the key properties of 2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide?
2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117087501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).