5-amino-2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide

C12H13N3O2S — CID 61092626

IUPAC5-amino-2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(N)cc1C(=O)Nc1ncc(C)s1
InChIInChI=1S/C12H13N3O2S/c1-7-6-14-12(18-7)15-11(16)9-5-8(13)3-4-10(9)17-2/h3-6H,13H2,1-2H3,(H,14,15,16)
InChIKeyXGHKHIYCEBMBKF-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.29
Rot. Bonds3

About 5-amino-2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide

5-amino-2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 61092626) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID61092626
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name5-amino-2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(N)cc1C(=O)Nc1ncc(C)s1
InChIInChI=1S/C12H13N3O2S/c1-7-6-14-12(18-7)15-11(16)9-5-8(13)3-4-10(9)17-2/h3-6H,13H2,1-2H3,(H,14,15,16)
InChIKeyXGHKHIYCEBMBKF-UHFFFAOYSA-N
XLogP2.29
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.29
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-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 803477
3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
2-fluoro-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 79770175
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146255998
5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 102704840
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46557890
5-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 61090906
3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 61090016
5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide
CID 61093558
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
CID 104616428
5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 104616600
5-amino-N-(6-fluoro-2-pyridinyl)-2-methoxybenzamide
CID 116812517

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-amino-2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 61092626) is 5-amino-2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-amino-2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-amino-2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide is COc1ccc(N)cc1C(=O)Nc1ncc(C)s1.
What is the InChIKey of 5-amino-2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is XGHKHIYCEBMBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7-6-14-12(18-7)15-11(16)9-5-8(13)3-4-10(9)17-2/h3-6H,13H2,1-2H3,(H,14,15,16).
What are the key properties of 5-amino-2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
5-amino-2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 263.32 g/mol, XLogP of 2.29, 3 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-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 61092626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).