N-(3-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide

C13H14BrN3OS — CID 61283814

IUPACN-(3-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
SMILESCc1nc(CNCC(=O)Nc2cccc(Br)c2)cs1
InChIInChI=1S/C13H14BrN3OS/c1-9-16-12(8-19-9)6-15-7-13(18)17-11-4-2-3-10(14)5-11/h2-5,8,15H,6-7H2,1H3,(H,17,18)
InChIKeyQJCXEULOOPFABI-UHFFFAOYSA-N
MW340.25 g/mol
LogP2.94
Rot. Bonds5

About N-(3-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide

N-(3-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide (PubChem CID 61283814) has the molecular formula C13H14BrN3OS and a molecular weight of 340.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
PubChem CID61283814
Molecular FormulaC13H14BrN3OS
Molecular Weight340.25 g/mol
Exact Mass339.00
IUPAC NameN-(3-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
SMILESCc1nc(CNCC(=O)Nc2cccc(Br)c2)cs1
InChIInChI=1S/C13H14BrN3OS/c1-9-16-12(8-19-9)6-15-7-13(18)17-11-4-2-3-10(14)5-11/h2-5,8,15H,6-7H2,1H3,(H,17,18)
InChIKeyQJCXEULOOPFABI-UHFFFAOYSA-N
XLogP2.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide (CID 61283814) is N-(3-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide is Cc1nc(CNCC(=O)Nc2cccc(Br)c2)cs1.
What is the InChIKey of N-(3-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide?
The InChIKey is QJCXEULOOPFABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3OS/c1-9-16-12(8-19-9)6-15-7-13(18)17-11-4-2-3-10(14)5-11/h2-5,8,15H,6-7H2,1H3,(H,17,18).
What are the key properties of N-(3-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide?
N-(3-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide has a molecular weight of 340.25 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 61283814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).