2-(3-aminophenyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide

C12H13N3O2S — CID 117087837

IUPAC2-(3-aminophenyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
SMILESNc1cccc(-c2nc(C(=O)NCCO)cs2)c1
InChIInChI=1S/C12H13N3O2S/c13-9-3-1-2-8(6-9)12-15-10(7-18-12)11(17)14-4-5-16/h1-3,6-7,16H,4-5,13H2,(H,14,17)
InChIKeyVDOBEMMIHOZUSY-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.11
Rot. Bonds4

About 2-(3-aminophenyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide

2-(3-aminophenyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide (PubChem CID 117087837) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
PubChem CID117087837
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-(3-aminophenyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
SMILESNc1cccc(-c2nc(C(=O)NCCO)cs2)c1
InChIInChI=1S/C12H13N3O2S/c13-9-3-1-2-8(6-9)12-15-10(7-18-12)11(17)14-4-5-16/h1-3,6-7,16H,4-5,13H2,(H,14,17)
InChIKeyVDOBEMMIHOZUSY-UHFFFAOYSA-N
XLogP1.11
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.11
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-hydroxyethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-aminophenyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide (CID 117087837) is 2-(3-aminophenyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide is Nc1cccc(-c2nc(C(=O)NCCO)cs2)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is VDOBEMMIHOZUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-9-3-1-2-8(6-9)12-15-10(7-18-12)11(17)14-4-5-16/h1-3,6-7,16H,4-5,13H2,(H,14,17).
What are the key properties of 2-(3-aminophenyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide?
2-(3-aminophenyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.11, 4 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-hydroxyethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 117087837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).