2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide

C12H11BrN2OS — CID 107904091

IUPAC2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESCC(Br)C(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C12H11BrN2OS/c1-8(13)11(16)15-10-4-2-3-9(7-10)12-14-5-6-17-12/h2-8H,1H3,(H,15,16)
InChIKeyKVSRGNJTVIJCOI-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.53
Rot. Bonds3

About 2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide

2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide (PubChem CID 107904091) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is 2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
PubChem CID107904091
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESCC(Br)C(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C12H11BrN2OS/c1-8(13)11(16)15-10-4-2-3-9(7-10)12-14-5-6-17-12/h2-8H,1H3,(H,15,16)
InChIKeyKVSRGNJTVIJCOI-UHFFFAOYSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.53
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

(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 61180169
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032
2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 54862805
2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 65230148
(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 61173914
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 62838310
1-[1-(2-bromophenyl)ethyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545630
2-(2,4-dichlorophenoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 55817441
2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 79792418
5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 87047322
5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 47336929
1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 47442231

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
The IUPAC name of 2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide (CID 107904091) is 2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide is CC(Br)C(=O)Nc1cccc(-c2nccs2)c1.
What is the InChIKey of 2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
The InChIKey is KVSRGNJTVIJCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-8(13)11(16)15-10-4-2-3-9(7-10)12-14-5-6-17-12/h2-8H,1H3,(H,15,16).
What are the key properties of 2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide has a molecular weight of 311.20 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 107904091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).