3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide

C13H15N3O2S — CID 81089891

IUPAC3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCOc1cc(N)cc(C(=O)N(C)Cc2cscn2)c1
InChIInChI=1S/C13H15N3O2S/c1-16(6-11-7-19-8-15-11)13(17)9-3-10(14)5-12(4-9)18-2/h3-5,7-8H,6,14H2,1-2H3
InChIKeyZNZJJCCMFRREHY-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.01
Rot. Bonds4

About 3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide

3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 81089891) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID81089891
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCOc1cc(N)cc(C(=O)N(C)Cc2cscn2)c1
InChIInChI=1S/C13H15N3O2S/c1-16(6-11-7-19-8-15-11)13(17)9-3-10(14)5-12(4-9)18-2/h3-5,7-8H,6,14H2,1-2H3
InChIKeyZNZJJCCMFRREHY-UHFFFAOYSA-N
XLogP2.01
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013795
2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 62159832
3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63189346
4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013339
methyl 2-[(3-amino-5-methoxybenzoyl)-methylamino]acetate
CID 81090418
3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide
CID 81092304
4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide
CID 47402715
2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 65349208
2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate
CID 79349772
4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55163854
3-hydroxy-4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 113434706
3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284873

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 81089891) is 3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide is COc1cc(N)cc(C(=O)N(C)Cc2cscn2)c1.
What is the InChIKey of 3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is ZNZJJCCMFRREHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-16(6-11-7-19-8-15-11)13(17)9-3-10(14)5-12(4-9)18-2/h3-5,7-8H,6,14H2,1-2H3.
What are the key properties of 3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide has a molecular weight of 277.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide is sourced from PubChem (CID 81089891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).