2-bromo-2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide

C9H13BrN2OS — CID 82109909

IUPAC2-bromo-2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)(C)Br)c1cncs1
InChIInChI=1S/C9H13BrN2OS/c1-6(7-4-11-5-14-7)12-8(13)9(2,3)10/h4-6H,1-3H3,(H,12,13)
InChIKeyOWIAOQXJPWRVMO-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.49
Rot. Bonds3

About 2-bromo-2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide

2-bromo-2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide (PubChem CID 82109909) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide
PubChem CID82109909
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name2-bromo-2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)(C)Br)c1cncs1
InChIInChI=1S/C9H13BrN2OS/c1-6(7-4-11-5-14-7)12-8(13)9(2,3)10/h4-6H,1-3H3,(H,12,13)
InChIKeyOWIAOQXJPWRVMO-UHFFFAOYSA-N
XLogP2.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide
CID 82110386
1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide
CID 146121249
2-bromo-2-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 82110375
N-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide
CID 115712697
methyl (2S)-3-methyl-2-[1-(1,3-thiazol-5-yl)ethylamino]butanoate
CID 104865935
2-(1,3-thiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115920514
2,2-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-3-amine
CID 115717805
tert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate
CID 103905984
N,N-diethyl-2-[1-(1,3-thiazol-5-yl)ethylamino]acetamide
CID 115712604
2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide
CID 115917200
tert-butyl N-[(E)-4-[1-(1,3-thiazol-5-yl)ethylamino]but-2-enyl]carbamate
CID 107253060
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-bromo-2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide (CID 82109909) is 2-bromo-2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide is CC(NC(=O)C(C)(C)Br)c1cncs1.
What is the InChIKey of 2-bromo-2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide?
The InChIKey is OWIAOQXJPWRVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-6(7-4-11-5-14-7)12-8(13)9(2,3)10/h4-6H,1-3H3,(H,12,13).
What are the key properties of 2-bromo-2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide?
2-bromo-2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide has a molecular weight of 277.19 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 82109909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).