2-indazol-1-yl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide

C12H11N5OS2 — CID 71973965

IUPAC2-indazol-1-yl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCSc1nsc(NC(=O)Cn2ncc3ccccc32)n1
InChIInChI=1S/C12H11N5OS2/c1-19-12-15-11(20-16-12)14-10(18)7-17-9-5-3-2-4-8(9)6-13-17/h2-6H,7H2,1H3,(H,14,15,16,18)
InChIKeyZFRHAPQBULUXDE-UHFFFAOYSA-N
MW305.39 g/mol
LogP2.25
Rot. Bonds4

About 2-indazol-1-yl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide

2-indazol-1-yl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 71973965) has the molecular formula C12H11N5OS2 and a molecular weight of 305.39 g/mol. Its IUPAC name is 2-indazol-1-yl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-indazol-1-yl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID71973965
Molecular FormulaC12H11N5OS2
Molecular Weight305.39 g/mol
Exact Mass305.04
IUPAC Name2-indazol-1-yl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCSc1nsc(NC(=O)Cn2ncc3ccccc32)n1
InChIInChI=1S/C12H11N5OS2/c1-19-12-15-11(20-16-12)14-10(18)7-17-9-5-3-2-4-8(9)6-13-17/h2-6H,7H2,1H3,(H,14,15,16,18)
InChIKeyZFRHAPQBULUXDE-UHFFFAOYSA-N
XLogP2.25
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide
CID 20885361
2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide
CID 71994539
2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide
CID 124684501
N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide
CID 20885235
N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141857
(2S)-2-[(2-indazol-1-ylacetyl)amino]propanoic acid
CID 119238085
N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide
CID 20885240
N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141660
5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid
CID 75469207
N-[4-(2-hydroxyethoxy)phenyl]-2-indazol-1-ylacetamide
CID 111116081
methyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate
CID 97260617
5-[(2-indazol-1-ylacetyl)amino]pentanoic acid
CID 119234556

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-indazol-1-yl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide (CID 71973965) is 2-indazol-1-yl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-indazol-1-yl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-indazol-1-yl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide is CSc1nsc(NC(=O)Cn2ncc3ccccc32)n1.
What is the InChIKey of 2-indazol-1-yl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is ZFRHAPQBULUXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS2/c1-19-12-15-11(20-16-12)14-10(18)7-17-9-5-3-2-4-8(9)6-13-17/h2-6H,7H2,1H3,(H,14,15,16,18).
What are the key properties of 2-indazol-1-yl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
2-indazol-1-yl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 305.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 71973965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).