N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide

C12H12BrN3OS — CID 110717823

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide
SMILESNc1nc(CCNC(=O)c2ccc(Br)cc2)cs1
InChIInChI=1S/C12H12BrN3OS/c13-9-3-1-8(2-4-9)11(17)15-6-5-10-7-18-12(14)16-10/h1-4,7H,5-6H2,(H2,14,16)(H,15,17)
InChIKeySXPLQLMETXABIY-UHFFFAOYSA-N
MW326.22 g/mol
LogP2.46
Rot. Bonds4

About N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide (PubChem CID 110717823) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide
PubChem CID110717823
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide
SMILESNc1nc(CCNC(=O)c2ccc(Br)cc2)cs1
InChIInChI=1S/C12H12BrN3OS/c13-9-3-1-8(2-4-9)11(17)15-6-5-10-7-18-12(14)16-10/h1-4,7H,5-6H2,(H2,14,16)(H,15,17)
InChIKeySXPLQLMETXABIY-UHFFFAOYSA-N
XLogP2.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide
CID 110717824
4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287449
4-bromo-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398036
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(3-fluorophenyl)benzamide
CID 131899873
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide
CID 110717816
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
CID 72897828
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide
CID 110717829
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
CID 110747798
acetic acid;4-(2-aminoethoxy)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methoxybenzamide
CID 154905019
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide
CID 91769969

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide (CID 110717823) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide is Nc1nc(CCNC(=O)c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide?
The InChIKey is SXPLQLMETXABIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS/c13-9-3-1-8(2-4-9)11(17)15-6-5-10-7-18-12(14)16-10/h1-4,7H,5-6H2,(H2,14,16)(H,15,17).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide has a molecular weight of 326.22 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide is sourced from PubChem (CID 110717823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).