2-[3-pyrazol-1-yl-5-(1,2,4-thiadiazol-5-yl)-2-(1,2-thiazol-5-yl)imidazol-4-yl]-1,3,4-thiadiazole

C13H7N9S3 — CID 141095453

IUPAC2-[3-pyrazol-1-yl-5-(1,2,4-thiadiazol-5-yl)-2-(1,2-thiazol-5-yl)imidazol-4-yl]-1,3,4-thiadiazole
SMILESc1cnn(-n2c(-c3ccns3)nc(-c3ncns3)c2-c2nncs2)c1
InChIInChI=1S/C13H7N9S3/c1-3-16-21(5-1)22-10(13-20-15-7-23-13)9(12-14-6-18-25-12)19-11(22)8-2-4-17-24-8/h1-7H
InChIKeyBZHPDIDPFAHODQ-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.55
Rot. Bonds4

About 2-[3-pyrazol-1-yl-5-(1,2,4-thiadiazol-5-yl)-2-(1,2-thiazol-5-yl)imidazol-4-yl]-1,3,4-thiadiazole

2-[3-pyrazol-1-yl-5-(1,2,4-thiadiazol-5-yl)-2-(1,2-thiazol-5-yl)imidazol-4-yl]-1,3,4-thiadiazole (PubChem CID 141095453) has the molecular formula C13H7N9S3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-[3-pyrazol-1-yl-5-(1,2,4-thiadiazol-5-yl)-2-(1,2-thiazol-5-yl)imidazol-4-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[3-pyrazol-1-yl-5-(1,2,4-thiadiazol-5-yl)-2-(1,2-thiazol-5-yl)imidazol-4-yl]-1,3,4-thiadiazole
PubChem CID141095453
Molecular FormulaC13H7N9S3
Molecular Weight385.46 g/mol
Exact Mass385.00
IUPAC Name2-[3-pyrazol-1-yl-5-(1,2,4-thiadiazol-5-yl)-2-(1,2-thiazol-5-yl)imidazol-4-yl]-1,3,4-thiadiazole
SMILESc1cnn(-n2c(-c3ccns3)nc(-c3ncns3)c2-c2nncs2)c1
InChIInChI=1S/C13H7N9S3/c1-3-16-21(5-1)22-10(13-20-15-7-23-13)9(12-14-6-18-25-12)19-11(22)8-2-4-17-24-8/h1-7H
InChIKeyBZHPDIDPFAHODQ-UHFFFAOYSA-N
XLogP2.55
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;3-methyl-1,2,4-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
CID 157936459
2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
CID 160219348
1-Methylimidazole;1-methylpentazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
CID 161059400

Frequently Asked Questions

What is the IUPAC name of 2-[3-pyrazol-1-yl-5-(1,2,4-thiadiazol-5-yl)-2-(1,2-thiazol-5-yl)imidazol-4-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[3-pyrazol-1-yl-5-(1,2,4-thiadiazol-5-yl)-2-(1,2-thiazol-5-yl)imidazol-4-yl]-1,3,4-thiadiazole (CID 141095453) is 2-[3-pyrazol-1-yl-5-(1,2,4-thiadiazol-5-yl)-2-(1,2-thiazol-5-yl)imidazol-4-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[3-pyrazol-1-yl-5-(1,2,4-thiadiazol-5-yl)-2-(1,2-thiazol-5-yl)imidazol-4-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[3-pyrazol-1-yl-5-(1,2,4-thiadiazol-5-yl)-2-(1,2-thiazol-5-yl)imidazol-4-yl]-1,3,4-thiadiazole is c1cnn(-n2c(-c3ccns3)nc(-c3ncns3)c2-c2nncs2)c1.
What is the InChIKey of 2-[3-pyrazol-1-yl-5-(1,2,4-thiadiazol-5-yl)-2-(1,2-thiazol-5-yl)imidazol-4-yl]-1,3,4-thiadiazole?
The InChIKey is BZHPDIDPFAHODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N9S3/c1-3-16-21(5-1)22-10(13-20-15-7-23-13)9(12-14-6-18-25-12)19-11(22)8-2-4-17-24-8/h1-7H.
What are the key properties of 2-[3-pyrazol-1-yl-5-(1,2,4-thiadiazol-5-yl)-2-(1,2-thiazol-5-yl)imidazol-4-yl]-1,3,4-thiadiazole?
2-[3-pyrazol-1-yl-5-(1,2,4-thiadiazol-5-yl)-2-(1,2-thiazol-5-yl)imidazol-4-yl]-1,3,4-thiadiazole has a molecular weight of 385.46 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-pyrazol-1-yl-5-(1,2,4-thiadiazol-5-yl)-2-(1,2-thiazol-5-yl)imidazol-4-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 141095453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).