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

C11H10BrN3OS — CID 79723692

IUPAC2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)NCc1nccs1
InChIInChI=1S/C11H10BrN3OS/c12-7-1-2-8(9(13)5-7)11(16)15-6-10-14-3-4-17-10/h1-5H,6,13H2,(H,15,16)
InChIKeyYJRTVFZZSNNFGD-UHFFFAOYSA-N
MW312.19 g/mol
LogP2.42
Rot. Bonds3

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

2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 79723692) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID79723692
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC Name2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)NCc1nccs1
InChIInChI=1S/C11H10BrN3OS/c12-7-1-2-8(9(13)5-7)11(16)15-6-10-14-3-4-17-10/h1-5H,6,13H2,(H,15,16)
InChIKeyYJRTVFZZSNNFGD-UHFFFAOYSA-N
XLogP2.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103616957
3-amino-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide
CID 105069243
4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 60773800
2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide
CID 79723749
2-[[(2-amino-4-bromobenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324791
2-amino-4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 79723371
2-amino-4-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 79722891
2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 55175798
2-amino-4-bromo-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 79721607
2-amino-4-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 79719718
2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 107025613
4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 113341365

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 79723692) is 2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide is Nc1cc(Br)ccc1C(=O)NCc1nccs1.
What is the InChIKey of 2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is YJRTVFZZSNNFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c12-7-1-2-8(9(13)5-7)11(16)15-6-10-14-3-4-17-10/h1-5H,6,13H2,(H,15,16).
What are the key properties of 2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide?
2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 312.19 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 79723692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).