3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide

C9H13BrN2OS — CID 82108654

IUPAC3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCc1csc(C(C)NC(=O)CCBr)n1
InChIInChI=1S/C9H13BrN2OS/c1-6-5-14-9(11-6)7(2)12-8(13)3-4-10/h5,7H,3-4H2,1-2H3,(H,12,13)
InChIKeyMEQFYUAANLWPML-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.41
Rot. Bonds4

About 3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide

3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 82108654) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID82108654
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCc1csc(C(C)NC(=O)CCBr)n1
InChIInChI=1S/C9H13BrN2OS/c1-6-5-14-9(11-6)7(2)12-8(13)3-4-10/h5,7H,3-4H2,1-2H3,(H,12,13)
InChIKeyMEQFYUAANLWPML-UHFFFAOYSA-N
XLogP2.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.41
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

ethyl 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-4-oxobutanoate
CID 63022935
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
2-(2-methoxyethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 103642136
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875872
2-methyl-3-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875883
1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115609023
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide
CID 95311131
3-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110563
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 79614754
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119875889
4-fluoro-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702418

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide (CID 82108654) is 3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide is Cc1csc(C(C)NC(=O)CCBr)n1.
What is the InChIKey of 3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is MEQFYUAANLWPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-6-5-14-9(11-6)7(2)12-8(13)3-4-10/h5,7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 277.19 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 82108654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).