2-(2-bromophenoxy)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide

C14H15BrN2O2S2 — CID 86940569

IUPAC2-(2-bromophenoxy)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide
SMILESCSc1sc(NC(=O)C(C)Oc2ccccc2Br)nc1C
InChIInChI=1S/C14H15BrN2O2S2/c1-8-13(20-3)21-14(16-8)17-12(18)9(2)19-11-7-5-4-6-10(11)15/h4-7,9H,1-3H3,(H,16,17,18)
InChIKeyLLKYVMXBGPMJPW-UHFFFAOYSA-N
MW387.32 g/mol
LogP4.34
Rot. Bonds5

About 2-(2-bromophenoxy)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide

2-(2-bromophenoxy)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide (PubChem CID 86940569) has the molecular formula C14H15BrN2O2S2 and a molecular weight of 387.32 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide
PubChem CID86940569
Molecular FormulaC14H15BrN2O2S2
Molecular Weight387.32 g/mol
Exact Mass385.98
IUPAC Name2-(2-bromophenoxy)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide
SMILESCSc1sc(NC(=O)C(C)Oc2ccccc2Br)nc1C
InChIInChI=1S/C14H15BrN2O2S2/c1-8-13(20-3)21-14(16-8)17-12(18)9(2)19-11-7-5-4-6-10(11)15/h4-7,9H,1-3H3,(H,16,17,18)
InChIKeyLLKYVMXBGPMJPW-UHFFFAOYSA-N
XLogP4.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-ethoxy-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide
CID 95281174
2-(2-bromophenoxy)-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 56788300
(2S)-2-(2-bromophenoxy)-N-phenylpropanamide
CID 7394881
2-(2-bromophenoxy)-N-(4-methylphenyl)propanamide
CID 112777983
(2R)-2-(2-bromophenoxy)-N-(2-fluorophenyl)propanamide
CID 7707082
N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 87001779
methyl 2-[[(2S)-2-(2-bromophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 1282935
2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 155976896
2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide
CID 45147944
(2R)-2-(2-bromophenoxy)-N-(1,2-oxazol-3-yl)propanamide
CID 42561678
2-(2-bromo-4-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 43077866
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide
CID 55583774

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide (CID 86940569) is 2-(2-bromophenoxy)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide is CSc1sc(NC(=O)C(C)Oc2ccccc2Br)nc1C.
What is the InChIKey of 2-(2-bromophenoxy)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is LLKYVMXBGPMJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S2/c1-8-13(20-3)21-14(16-8)17-12(18)9(2)19-11-7-5-4-6-10(11)15/h4-7,9H,1-3H3,(H,16,17,18).
What are the key properties of 2-(2-bromophenoxy)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide?
2-(2-bromophenoxy)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 387.32 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 86940569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).