2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,3,4-thiadiazole

C12H14BrN5S — CID 126901437

IUPAC2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,3,4-thiadiazole
SMILESBrc1cnn(C2CN(Cc3nnc(C4CC4)s3)C2)c1
InChIInChI=1S/C12H14BrN5S/c13-9-3-14-18(4-9)10-5-17(6-10)7-11-15-16-12(19-11)8-1-2-8/h3-4,8,10H,1-2,5-7H2
InChIKeyBEKZSADUCIODTG-UHFFFAOYSA-N
MW340.25 g/mol
LogP2.43
Rot. Bonds4

About 2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,3,4-thiadiazole

2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,3,4-thiadiazole (PubChem CID 126901437) has the molecular formula C12H14BrN5S and a molecular weight of 340.25 g/mol. Its IUPAC name is 2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,3,4-thiadiazole
PubChem CID126901437
Molecular FormulaC12H14BrN5S
Molecular Weight340.25 g/mol
Exact Mass339.02
IUPAC Name2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,3,4-thiadiazole
SMILESBrc1cnn(C2CN(Cc3nnc(C4CC4)s3)C2)c1
InChIInChI=1S/C12H14BrN5S/c13-9-3-14-18(4-9)10-5-17(6-10)7-11-15-16-12(19-11)8-1-2-8/h3-4,8,10H,1-2,5-7H2
InChIKeyBEKZSADUCIODTG-UHFFFAOYSA-N
XLogP2.43
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,3,4-thiadiazole with MolForge

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Related Compounds

4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole
CID 126901486
2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine
CID 126901418
1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine
CID 126901314
3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126945129
3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126901439
5-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 126901329
2-cyclopropyl-5-(piperazin-1-ylmethyl)-1,3,4-thiadiazole
CID 82287425
4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-thiazole
CID 126947018
[4-(4-bromopyrazol-1-yl)cyclohexyl]methanamine
CID 82380397
3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 126901479
2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]cyclohexan-1-ol
CID 126901597
2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole
CID 126901538

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,3,4-thiadiazole?
The IUPAC name of 2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,3,4-thiadiazole (CID 126901437) is 2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,3,4-thiadiazole is Brc1cnn(C2CN(Cc3nnc(C4CC4)s3)C2)c1.
What is the InChIKey of 2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,3,4-thiadiazole?
The InChIKey is BEKZSADUCIODTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5S/c13-9-3-14-18(4-9)10-5-17(6-10)7-11-15-16-12(19-11)8-1-2-8/h3-4,8,10H,1-2,5-7H2.
What are the key properties of 2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,3,4-thiadiazole?
2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,3,4-thiadiazole has a molecular weight of 340.25 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,3,4-thiadiazole is sourced from PubChem (CID 126901437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).