2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-bromo-2-methylphenyl)acetamide

C11H11BrN4OS2 — CID 1025541

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-bromo-2-methylphenyl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C11H11BrN4OS2/c1-6-4-7(12)2-3-8(6)14-9(17)5-18-11-16-15-10(13)19-11/h2-4H,5H2,1H3,(H2,13,15)(H,14,17)
InChIKeyHDUKGWHJQNLVKC-UHFFFAOYSA-N
MW359.27 g/mol
LogP2.92
Rot. Bonds4

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-bromo-2-methylphenyl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-bromo-2-methylphenyl)acetamide (PubChem CID 1025541) has the molecular formula C11H11BrN4OS2 and a molecular weight of 359.27 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-bromo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-bromo-2-methylphenyl)acetamide
PubChem CID1025541
Molecular FormulaC11H11BrN4OS2
Molecular Weight359.27 g/mol
Exact Mass357.96
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-bromo-2-methylphenyl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C11H11BrN4OS2/c1-6-4-7(12)2-3-8(6)14-9(17)5-18-11-16-15-10(13)19-11/h2-4H,5H2,1H3,(H2,13,15)(H,14,17)
InChIKeyHDUKGWHJQNLVKC-UHFFFAOYSA-N
XLogP2.92
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide
CID 2162574
1-[4-Bromo-2-(trifluoromethyl)phenyl]-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)thiourea
CID 155543173
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 708016
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 840136
2-[(5-Amino-1,3,4-thiadiazol-2-yl)thio]-N-(4-methylphenyl)acetamide
CID 685006
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 673891
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(3-methylphenyl)acetamide
CID 711117
1-[4-Bromo-2-(trifluoromethyl)phenyl]-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 155525500
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 673894
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 673928
2-((5-Amino-1,3,4-thiadiazol-2-YL)thio)-N-(5-fluoro-2-methylphenyl)acetamide
CID 2060227
N-([1,1'-Biphenyl]-2-yl)-2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetamide
CID 673892

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-bromo-2-methylphenyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-bromo-2-methylphenyl)acetamide (CID 1025541) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-bromo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-bromo-2-methylphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-bromo-2-methylphenyl)acetamide is Cc1cc(Br)ccc1NC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-bromo-2-methylphenyl)acetamide?
The InChIKey is HDUKGWHJQNLVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4OS2/c1-6-4-7(12)2-3-8(6)14-9(17)5-18-11-16-15-10(13)19-11/h2-4H,5H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-bromo-2-methylphenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-bromo-2-methylphenyl)acetamide has a molecular weight of 359.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-bromo-2-methylphenyl)acetamide is sourced from PubChem (CID 1025541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).