5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

C13H15N3O2S — CID 63832003

IUPAC5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESCOc1ccc(N)cc1C(=O)NCCc1cscn1
InChIInChI=1S/C13H15N3O2S/c1-18-12-3-2-9(14)6-11(12)13(17)15-5-4-10-7-19-8-16-10/h2-3,6-8H,4-5,14H2,1H3,(H,15,17)
InChIKeyPXOIFXHZOGDIAK-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.71
Rot. Bonds5

About 5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 63832003) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID63832003
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESCOc1ccc(N)cc1C(=O)NCCc1cscn1
InChIInChI=1S/C13H15N3O2S/c1-18-12-3-2-9(14)6-11(12)13(17)15-5-4-10-7-19-8-16-10/h2-3,6-8H,4-5,14H2,1H3,(H,15,17)
InChIKeyPXOIFXHZOGDIAK-UHFFFAOYSA-N
XLogP1.71
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830021
4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831646
5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide
CID 61104069
3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284873
5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide
CID 61092730
5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078
5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004068
2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346216
5-amino-2-methoxy-N-(3-propoxypropyl)benzamide
CID 82949458
tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate
CID 104932681
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 55083724
3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830367

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (CID 63832003) is 5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is COc1ccc(N)cc1C(=O)NCCc1cscn1.
What is the InChIKey of 5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is PXOIFXHZOGDIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-18-12-3-2-9(14)6-11(12)13(17)15-5-4-10-7-19-8-16-10/h2-3,6-8H,4-5,14H2,1H3,(H,15,17).
What are the key properties of 5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 277.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 63832003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).