2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole

C9H8BrN3S — CID 118016456

IUPAC2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole
SMILESBrc1cn(-c2nccs2)nc1C1CC1
InChIInChI=1S/C9H8BrN3S/c10-7-5-13(9-11-3-4-14-9)12-8(7)6-1-2-6/h3-6H,1-2H2
InChIKeyVUVRSXOPCVMVBO-UHFFFAOYSA-N
MW270.15 g/mol
LogP2.97
Rot. Bonds2

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

2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole (PubChem CID 118016456) has the molecular formula C9H8BrN3S and a molecular weight of 270.15 g/mol. Its IUPAC name is 2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole
PubChem CID118016456
Molecular FormulaC9H8BrN3S
Molecular Weight270.15 g/mol
Exact Mass268.96
IUPAC Name2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole
SMILESBrc1cn(-c2nccs2)nc1C1CC1
InChIInChI=1S/C9H8BrN3S/c10-7-5-13(9-11-3-4-14-9)12-8(7)6-1-2-6/h3-6H,1-2H2
InChIKeyVUVRSXOPCVMVBO-UHFFFAOYSA-N
XLogP2.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole?
The IUPAC name of 2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole (CID 118016456) is 2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole is Brc1cn(-c2nccs2)nc1C1CC1.
What is the InChIKey of 2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole?
The InChIKey is VUVRSXOPCVMVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3S/c10-7-5-13(9-11-3-4-14-9)12-8(7)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole?
2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole has a molecular weight of 270.15 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 118016456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).