2-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C13H14BrN3OS — CID 887779

IUPAC2-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)Cc2ccc(Br)cc2)s1
InChIInChI=1S/C13H14BrN3OS/c1-8(2)12-16-17-13(19-12)15-11(18)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H,15,17,18)
InChIKeySKDDKFOUOPFRDL-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.61
Rot. Bonds4

About 2-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 887779) has the molecular formula C13H14BrN3OS and a molecular weight of 340.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID887779
Molecular FormulaC13H14BrN3OS
Molecular Weight340.25 g/mol
Exact Mass339.00
IUPAC Name2-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)Cc2ccc(Br)cc2)s1
InChIInChI=1S/C13H14BrN3OS/c1-8(2)12-16-17-13(19-12)15-11(18)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H,15,17,18)
InChIKeySKDDKFOUOPFRDL-UHFFFAOYSA-N
XLogP3.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
CID 975548
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3120394
3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 3158290
2-methyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3254349
N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride
CID 23724219
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
CID 665668
2-ethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 1402671
2-phenyl-N-[5-(2-sulfanylideneethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 57149559
N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 647858
N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide
CID 684148
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 725826
2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 739348

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 887779) is 2-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)Cc2ccc(Br)cc2)s1.
What is the InChIKey of 2-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is SKDDKFOUOPFRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3OS/c1-8(2)12-16-17-13(19-12)15-11(18)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H,15,17,18).
What are the key properties of 2-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 340.25 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 887779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).