(2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

C12H12BrN3O2S — CID 7346755

IUPAC(2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)s1
InChIInChI=1S/C12H12BrN3O2S/c1-7(18-10-5-3-9(13)4-6-10)11(17)14-12-16-15-8(2)19-12/h3-7H,1-2H3,(H,14,16,17)/t7-/m1/s1
InChIKeyPCFFXHRJXJOZPR-SSDOTTSWSA-N
MW342.22 g/mol
LogP3.02
Rot. Bonds4

About (2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

(2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 7346755) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is (2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID7346755
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC Name(2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)s1
InChIInChI=1S/C12H12BrN3O2S/c1-7(18-10-5-3-9(13)4-6-10)11(17)14-12-16-15-8(2)19-12/h3-7H,1-2H3,(H,14,16,17)/t7-/m1/s1
InChIKeyPCFFXHRJXJOZPR-SSDOTTSWSA-N
XLogP3.02
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133160369
2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2992863
2-(4-bromophenoxy)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 78525105
2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17190941
2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2970521
(2S)-2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7346463
2-(4-bromophenoxy)-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 16549949
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2967064
2-(4-methylphenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133202119
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
2-(2-ethoxyethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 47066278
(2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 99644111

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 7346755) is (2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1nnc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)s1.
What is the InChIKey of (2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is PCFFXHRJXJOZPR-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c1-7(18-10-5-3-9(13)4-6-10)11(17)14-12-16-15-8(2)19-12/h3-7H,1-2H3,(H,14,16,17)/t7-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
(2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 342.22 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 7346755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).