2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide

C12H14BrN5OS — CID 120903166

IUPAC2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cn1)Cc1cnc(N)s1
InChIInChI=1S/C12H14BrN5OS/c1-18(6-9-5-16-12(14)20-9)7-11(19)17-10-3-2-8(13)4-15-10/h2-5H,6-7H2,1H3,(H2,14,16)(H,15,17,19)
InChIKeyUCVBRWARXXATGD-UHFFFAOYSA-N
MW356.25 g/mol
LogP1.95
Rot. Bonds5

About 2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide

2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide (PubChem CID 120903166) has the molecular formula C12H14BrN5OS and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide
PubChem CID120903166
Molecular FormulaC12H14BrN5OS
Molecular Weight356.25 g/mol
Exact Mass355.01
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cn1)Cc1cnc(N)s1
InChIInChI=1S/C12H14BrN5OS/c1-18(6-9-5-16-12(14)20-9)7-11(19)17-10-3-2-8(13)4-15-10/h2-5H,6-7H2,1H3,(H2,14,16)(H,15,17,19)
InChIKeyUCVBRWARXXATGD-UHFFFAOYSA-N
XLogP1.95
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 51285623
2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 120900523
N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide
CID 47287887
2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide
CID 119874977
5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79772146
methyl 3-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62011505
2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 56549489
2-[3-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]propanoylamino]thiophene-3-carboxamide
CID 56549482
N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 84591088
N-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 38171990
N-(5-bromo-2-pyridinyl)-2-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-methylamino]acetamide
CID 51135782
1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide
CID 119875009

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide (CID 120903166) is 2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide is CN(CC(=O)Nc1ccc(Br)cn1)Cc1cnc(N)s1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide?
The InChIKey is UCVBRWARXXATGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5OS/c1-18(6-9-5-16-12(14)20-9)7-11(19)17-10-3-2-8(13)4-15-10/h2-5H,6-7H2,1H3,(H2,14,16)(H,15,17,19).
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide?
2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide has a molecular weight of 356.25 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide is sourced from PubChem (CID 120903166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).