1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-1,3-thiazol-5-yl]ethanone

C11H11BrN2OS2 — CID 62751326

IUPAC1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)Cc2csc(Br)c2)s1
InChIInChI=1S/C11H11BrN2OS2/c1-7(15)9-4-13-11(17-9)14(2)5-8-3-10(12)16-6-8/h3-4,6H,5H2,1-2H3
InChIKeyHWOZCSJRCZTAAQ-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.81
Rot. Bonds4

About 1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-1,3-thiazol-5-yl]ethanone

1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-1,3-thiazol-5-yl]ethanone (PubChem CID 62751326) has the molecular formula C11H11BrN2OS2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-1,3-thiazol-5-yl]ethanone
PubChem CID62751326
Molecular FormulaC11H11BrN2OS2
Molecular Weight331.26 g/mol
Exact Mass329.95
IUPAC Name1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)Cc2csc(Br)c2)s1
InChIInChI=1S/C11H11BrN2OS2/c1-7(15)9-4-13-11(17-9)14(2)5-8-3-10(12)16-6-8/h3-4,6H,5H2,1-2H3
InChIKeyHWOZCSJRCZTAAQ-UHFFFAOYSA-N
XLogP3.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone
CID 57302328
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62753618
1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-4-nitrothiophen-2-yl]ethanone
CID 115964078
2-[(5-bromothiophen-3-yl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424057
1-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-5-yl]ethanone
CID 63727395
[6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol
CID 54986955
3-[(5-bromothiophen-3-yl)methyl-methylamino]pyrazine-2-carboxylic acid
CID 62702540
1-[2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]ethanone
CID 62751470
4-[(5-bromothiophen-3-yl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81244059
1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-5-fluorophenyl]ethanone
CID 54982109
1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-5-nitrophenyl]ethanone
CID 62872850
(1S)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131703

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-1,3-thiazol-5-yl]ethanone (CID 62751326) is 1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(N(C)Cc2csc(Br)c2)s1.
What is the InChIKey of 1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-1,3-thiazol-5-yl]ethanone?
The InChIKey is HWOZCSJRCZTAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS2/c1-7(15)9-4-13-11(17-9)14(2)5-8-3-10(12)16-6-8/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-1,3-thiazol-5-yl]ethanone?
1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-1,3-thiazol-5-yl]ethanone has a molecular weight of 331.26 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62751326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).