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

C13H13BrN2O2S — CID 1391807

IUPACN-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2ccc(OC)c(Br)c2)cs1
InChIInChI=1S/C13H13BrN2O2S/c1-3-12(17)16-13-15-10(7-19-13)8-4-5-11(18-2)9(14)6-8/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeyYHTMJDDDFHMEQH-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.93
Rot. Bonds4

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

N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 1391807) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID1391807
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC NameN-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2ccc(OC)c(Br)c2)cs1
InChIInChI=1S/C13H13BrN2O2S/c1-3-12(17)16-13-15-10(7-19-13)8-4-5-11(18-2)9(14)6-8/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeyYHTMJDDDFHMEQH-UHFFFAOYSA-N
XLogP3.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]acetamide
CID 5230077
N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 43077790
N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 1395837
N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 16549914
(3R)-3-acetamido-N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 41406312
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 98384975
N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-methoxybenzamide
CID 5093643
N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide
CID 2066122
4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962099
N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-phenylprop-2-enamide
CID 3361890
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-ethoxybenzamide
CID 5230366

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 1391807) is N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(-c2ccc(OC)c(Br)c2)cs1.
What is the InChIKey of N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is YHTMJDDDFHMEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-3-12(17)16-13-15-10(7-19-13)8-4-5-11(18-2)9(14)6-8/h4-7H,3H2,1-2H3,(H,15,16,17).
What are the key properties of N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 341.23 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 1391807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).