2-(3-bromophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)propanamide

C12H12BrN3OS — CID 166311484

IUPAC2-(3-bromophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cnsn1)c1cccc(Br)c1
InChIInChI=1S/C12H12BrN3OS/c1-8(9-3-2-4-10(13)5-9)12(17)14-6-11-7-15-18-16-11/h2-5,7-8H,6H2,1H3,(H,14,17)
InChIKeyPXYSQQJKJOWQAB-UHFFFAOYSA-N
MW326.22 g/mol
LogP2.72
Rot. Bonds4

About 2-(3-bromophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)propanamide

2-(3-bromophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)propanamide (PubChem CID 166311484) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)propanamide
PubChem CID166311484
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC Name2-(3-bromophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cnsn1)c1cccc(Br)c1
InChIInChI=1S/C12H12BrN3OS/c1-8(9-3-2-4-10(13)5-9)12(17)14-6-11-7-15-18-16-11/h2-5,7-8H,6H2,1H3,(H,14,17)
InChIKeyPXYSQQJKJOWQAB-UHFFFAOYSA-N
XLogP2.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-N-hexylpropanamide
CID 176514304
2-(3-bromophenyl)propanehydrazide
CID 116843936
2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide
CID 116848149
2-(3-bromophenyl)-N-cyclopropylpropanamide
CID 176514290
2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 106591385
(2S)-2-(3-bromophenyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 156853166
2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide
CID 106591203
1-[[(1R)-1-(3-bromophenyl)ethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81382477
N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide
CID 23770287
2-(3-bromophenyl)-3-methylbutanoic acid
CID 23317028
2-amino-N-[(3-bromophenyl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290479
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)propanamide?
The IUPAC name of 2-(3-bromophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)propanamide (CID 166311484) is 2-(3-bromophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)propanamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)propanamide is CC(C(=O)NCc1cnsn1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)propanamide?
The InChIKey is PXYSQQJKJOWQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS/c1-8(9-3-2-4-10(13)5-9)12(17)14-6-11-7-15-18-16-11/h2-5,7-8H,6H2,1H3,(H,14,17).
What are the key properties of 2-(3-bromophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)propanamide?
2-(3-bromophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)propanamide has a molecular weight of 326.22 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)propanamide is sourced from PubChem (CID 166311484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).