2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide

C12H13N3O2S — CID 81409659

IUPAC2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1nccs1
InChIInChI=1S/C12H13N3O2S/c1-2-17-9-5-3-4-8(13)10(9)11(16)15-12-14-6-7-18-12/h3-7H,2,13H2,1H3,(H,14,15,16)
InChIKeyCTABITNOAYQMLI-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.38
Rot. Bonds4

About 2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide

2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 81409659) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID81409659
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1nccs1
InChIInChI=1S/C12H13N3O2S/c1-2-17-9-5-3-4-8(13)10(9)11(16)15-12-14-6-7-18-12/h3-7H,2,13H2,1H3,(H,14,15,16)
InChIKeyCTABITNOAYQMLI-UHFFFAOYSA-N
XLogP2.38
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.38
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

2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-ethoxybenzamide
CID 81395596
2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide
CID 81420449
2-amino-N-(3-chloro-2-pyridinyl)-6-ethoxybenzamide
CID 103093864
2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide
CID 81394291
2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594556
2-amino-N-(2-bromophenyl)-6-ethoxybenzamide
CID 81410099
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 81420840
2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide
CID 81420199
2-ethoxy-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321520
2-(2-aminophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 16772949
2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide
CID 81394623

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide (CID 81409659) is 2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide is CCOc1cccc(N)c1C(=O)Nc1nccs1.
What is the InChIKey of 2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is CTABITNOAYQMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-2-17-9-5-3-4-8(13)10(9)11(16)15-12-14-6-7-18-12/h3-7H,2,13H2,1H3,(H,14,15,16).
What are the key properties of 2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide?
2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 263.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 81409659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).