N-(4-cyano-1-phenylpyrazol-5-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C17H15N7OS2 — CID 47773596

IUPACN-(4-cyano-1-phenylpyrazol-5-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1nnc(NC2CC2)s1
InChIInChI=1S/C17H15N7OS2/c18-8-11-9-19-24(13-4-2-1-3-5-13)15(11)21-14(25)10-26-17-23-22-16(27-17)20-12-6-7-12/h1-5,9,12H,6-7,10H2,(H,20,22)(H,21,25)
InChIKeyVTGVIXSULKLUOS-UHFFFAOYSA-N
MW397.49 g/mol
LogP2.90
Rot. Bonds7

About N-(4-cyano-1-phenylpyrazol-5-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(4-cyano-1-phenylpyrazol-5-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 47773596) has the molecular formula C17H15N7OS2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-(4-cyano-1-phenylpyrazol-5-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID47773596
Molecular FormulaC17H15N7OS2
Molecular Weight397.49 g/mol
Exact Mass397.08
IUPAC NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1nnc(NC2CC2)s1
InChIInChI=1S/C17H15N7OS2/c18-8-11-9-19-24(13-4-2-1-3-5-13)15(11)21-14(25)10-26-17-23-22-16(27-17)20-12-6-7-12/h1-5,9,12H,6-7,10H2,(H,20,22)(H,21,25)
InChIKeyVTGVIXSULKLUOS-UHFFFAOYSA-N
XLogP2.90
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24521659
N-(5-chloro-2-cyanophenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 78801335
N-(4-acetamidophenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8674479
N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24521658
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 8674447
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 8674445
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8674413
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 8674543
N-(2-cyanoethyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 25468183
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135527995
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2816572
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 36540804

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 47773596) is N-(4-cyano-1-phenylpyrazol-5-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-cyano-1-phenylpyrazol-5-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-cyano-1-phenylpyrazol-5-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1nnc(NC2CC2)s1.
What is the InChIKey of N-(4-cyano-1-phenylpyrazol-5-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is VTGVIXSULKLUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7OS2/c18-8-11-9-19-24(13-4-2-1-3-5-13)15(11)21-14(25)10-26-17-23-22-16(27-17)20-12-6-7-12/h1-5,9,12H,6-7,10H2,(H,20,22)(H,21,25).
What are the key properties of N-(4-cyano-1-phenylpyrazol-5-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 397.49 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-phenylpyrazol-5-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 47773596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).