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

C14H17N3O2S — CID 43742880

IUPACN-ethyl-N-[4-[(4-hydroxyanilino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNc2ccc(O)cc2)cs1
InChIInChI=1S/C14H17N3O2S/c1-3-17(10(2)18)14-16-12(9-20-14)8-15-11-4-6-13(19)7-5-11/h4-7,9,15,19H,3,8H2,1-2H3
InChIKeyREEBQHBWHWRXJW-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.83
Rot. Bonds5

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

N-ethyl-N-[4-[(4-hydroxyanilino)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 43742880) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-ethyl-N-[4-[(4-hydroxyanilino)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[(4-hydroxyanilino)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID43742880
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-ethyl-N-[4-[(4-hydroxyanilino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNc2ccc(O)cc2)cs1
InChIInChI=1S/C14H17N3O2S/c1-3-17(10(2)18)14-16-12(9-20-14)8-15-11-4-6-13(19)7-5-11/h4-7,9,15,19H,3,8H2,1-2H3
InChIKeyREEBQHBWHWRXJW-UHFFFAOYSA-N
XLogP2.83
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[(4-hydroxyanilino)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[(4-hydroxyanilino)methyl]-1,3-thiazol-2-yl]acetamide (CID 43742880) is N-ethyl-N-[4-[(4-hydroxyanilino)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[(4-hydroxyanilino)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[(4-hydroxyanilino)methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CNc2ccc(O)cc2)cs1.
What is the InChIKey of N-ethyl-N-[4-[(4-hydroxyanilino)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is REEBQHBWHWRXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-17(10(2)18)14-16-12(9-20-14)8-15-11-4-6-13(19)7-5-11/h4-7,9,15,19H,3,8H2,1-2H3.
What are the key properties of N-ethyl-N-[4-[(4-hydroxyanilino)methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[(4-hydroxyanilino)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 291.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[(4-hydroxyanilino)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 43742880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).