3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide

C13H14BrN3OS — CID 107872599

IUPAC3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCc1c(N)cc(Br)cc1C(=O)N(C)Cc1cscn1
InChIInChI=1S/C13H14BrN3OS/c1-8-11(3-9(14)4-12(8)15)13(18)17(2)5-10-6-19-7-16-10/h3-4,6-7H,5,15H2,1-2H3
InChIKeyPHPJNMOCQRIRCX-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.07
Rot. Bonds3

About 3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide

3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 107872599) has the molecular formula C13H14BrN3OS and a molecular weight of 340.25 g/mol. Its IUPAC name is 3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID107872599
Molecular FormulaC13H14BrN3OS
Molecular Weight340.25 g/mol
Exact Mass339.00
IUPAC Name3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCc1c(N)cc(Br)cc1C(=O)N(C)Cc1cscn1
InChIInChI=1S/C13H14BrN3OS/c1-8-11(3-9(14)4-12(8)15)13(18)17(2)5-10-6-19-7-16-10/h3-4,6-7H,5,15H2,1-2H3
InChIKeyPHPJNMOCQRIRCX-UHFFFAOYSA-N
XLogP3.07
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013339
3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide
CID 107872178
4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide
CID 47402715
2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide
CID 106853803
3-amino-5-bromo-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 107872823
4-fluoro-2-hydroxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103829866
3-amino-5-bromo-N,2-dimethyl-N-prop-2-ynylbenzamide
CID 107873004
3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013795
3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63189346
2-hydroxy-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 54990504
3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107872784
2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 62159832

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 107872599) is 3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide is Cc1c(N)cc(Br)cc1C(=O)N(C)Cc1cscn1.
What is the InChIKey of 3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is PHPJNMOCQRIRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3OS/c1-8-11(3-9(14)4-12(8)15)13(18)17(2)5-10-6-19-7-16-10/h3-4,6-7H,5,15H2,1-2H3.
What are the key properties of 3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide has a molecular weight of 340.25 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide is sourced from PubChem (CID 107872599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).