2-[(4-bromo-1,3-thiazol-2-yl)-ethylamino]-N,N-dimethylacetamide

C9H14BrN3OS — CID 79400515

IUPAC2-[(4-bromo-1,3-thiazol-2-yl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1nc(Br)cs1
InChIInChI=1S/C9H14BrN3OS/c1-4-13(5-8(14)12(2)3)9-11-7(10)6-15-9/h6H,4-5H2,1-3H3
InChIKeyXJLHAOIROHCHQT-UHFFFAOYSA-N
MW292.20 g/mol
LogP1.82
Rot. Bonds4

About 2-[(4-bromo-1,3-thiazol-2-yl)-ethylamino]-N,N-dimethylacetamide

2-[(4-bromo-1,3-thiazol-2-yl)-ethylamino]-N,N-dimethylacetamide (PubChem CID 79400515) has the molecular formula C9H14BrN3OS and a molecular weight of 292.20 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-thiazol-2-yl)-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-bromo-1,3-thiazol-2-yl)-ethylamino]-N,N-dimethylacetamide
PubChem CID79400515
Molecular FormulaC9H14BrN3OS
Molecular Weight292.20 g/mol
Exact Mass291.00
IUPAC Name2-[(4-bromo-1,3-thiazol-2-yl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1nc(Br)cs1
InChIInChI=1S/C9H14BrN3OS/c1-4-13(5-8(14)12(2)3)9-11-7(10)6-15-9/h6H,4-5H2,1-3H3
InChIKeyXJLHAOIROHCHQT-UHFFFAOYSA-N
XLogP1.82
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)-ethylamino]-N,N-dimethylacetamide (CID 79400515) is 2-[(4-bromo-1,3-thiazol-2-yl)-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-bromo-1,3-thiazol-2-yl)-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-bromo-1,3-thiazol-2-yl)-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1nc(Br)cs1.
What is the InChIKey of 2-[(4-bromo-1,3-thiazol-2-yl)-ethylamino]-N,N-dimethylacetamide?
The InChIKey is XJLHAOIROHCHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3OS/c1-4-13(5-8(14)12(2)3)9-11-7(10)6-15-9/h6H,4-5H2,1-3H3.
What are the key properties of 2-[(4-bromo-1,3-thiazol-2-yl)-ethylamino]-N,N-dimethylacetamide?
2-[(4-bromo-1,3-thiazol-2-yl)-ethylamino]-N,N-dimethylacetamide has a molecular weight of 292.20 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,3-thiazol-2-yl)-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 79400515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).