2-bromo-5-(3-cyclopropylpyrazol-1-yl)-1,3,4-thiadiazole

C8H7BrN4S — CID 64624552

IUPAC2-bromo-5-(3-cyclopropylpyrazol-1-yl)-1,3,4-thiadiazole
SMILESBrc1nnc(-n2ccc(C3CC3)n2)s1
InChIInChI=1S/C8H7BrN4S/c9-7-10-11-8(14-7)13-4-3-6(12-13)5-1-2-5/h3-5H,1-2H2
InChIKeyIVPIOOAYLOIKDC-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.36
Rot. Bonds2

About 2-bromo-5-(3-cyclopropylpyrazol-1-yl)-1,3,4-thiadiazole

2-bromo-5-(3-cyclopropylpyrazol-1-yl)-1,3,4-thiadiazole (PubChem CID 64624552) has the molecular formula C8H7BrN4S and a molecular weight of 271.14 g/mol. Its IUPAC name is 2-bromo-5-(3-cyclopropylpyrazol-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(3-cyclopropylpyrazol-1-yl)-1,3,4-thiadiazole
PubChem CID64624552
Molecular FormulaC8H7BrN4S
Molecular Weight271.14 g/mol
Exact Mass269.96
IUPAC Name2-bromo-5-(3-cyclopropylpyrazol-1-yl)-1,3,4-thiadiazole
SMILESBrc1nnc(-n2ccc(C3CC3)n2)s1
InChIInChI=1S/C8H7BrN4S/c9-7-10-11-8(14-7)13-4-3-6(12-13)5-1-2-5/h3-5H,1-2H2
InChIKeyIVPIOOAYLOIKDC-UHFFFAOYSA-N
XLogP2.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-cyclopropylpyrazol-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(3-cyclopropylpyrazol-1-yl)-1,3,4-thiadiazole (CID 64624552) is 2-bromo-5-(3-cyclopropylpyrazol-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(3-cyclopropylpyrazol-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(3-cyclopropylpyrazol-1-yl)-1,3,4-thiadiazole is Brc1nnc(-n2ccc(C3CC3)n2)s1.
What is the InChIKey of 2-bromo-5-(3-cyclopropylpyrazol-1-yl)-1,3,4-thiadiazole?
The InChIKey is IVPIOOAYLOIKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4S/c9-7-10-11-8(14-7)13-4-3-6(12-13)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 2-bromo-5-(3-cyclopropylpyrazol-1-yl)-1,3,4-thiadiazole?
2-bromo-5-(3-cyclopropylpyrazol-1-yl)-1,3,4-thiadiazole has a molecular weight of 271.14 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-cyclopropylpyrazol-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 64624552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).