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

C6H4BrClN4S — CID 80610694

IUPAC2-[(4-bromopyrazol-1-yl)methyl]-5-chloro-1,3,4-thiadiazole
SMILESClc1nnc(Cn2cc(Br)cn2)s1
InChIInChI=1S/C6H4BrClN4S/c7-4-1-9-12(2-4)3-5-10-11-6(8)13-5/h1-2H,3H2
InChIKeyUYTCHJXEMJGFPQ-UHFFFAOYSA-N
MW279.55 g/mol
LogP2.20
Rot. Bonds2

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

2-[(4-bromopyrazol-1-yl)methyl]-5-chloro-1,3,4-thiadiazole (PubChem CID 80610694) has the molecular formula C6H4BrClN4S and a molecular weight of 279.55 g/mol. Its IUPAC name is 2-[(4-bromopyrazol-1-yl)methyl]-5-chloro-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(4-bromopyrazol-1-yl)methyl]-5-chloro-1,3,4-thiadiazole
PubChem CID80610694
Molecular FormulaC6H4BrClN4S
Molecular Weight279.55 g/mol
Exact Mass277.90
IUPAC Name2-[(4-bromopyrazol-1-yl)methyl]-5-chloro-1,3,4-thiadiazole
SMILESClc1nnc(Cn2cc(Br)cn2)s1
InChIInChI=1S/C6H4BrClN4S/c7-4-1-9-12(2-4)3-5-10-11-6(8)13-5/h1-2H,3H2
InChIKeyUYTCHJXEMJGFPQ-UHFFFAOYSA-N
XLogP2.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.55
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromopyrazol-1-yl)methyl]-4-(chloromethyl)-1,3-thiazole
CID 61035022
5-bromo-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyridin-2-one
CID 80611307
5-bromo-2-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole
CID 130615886
2-chloro-5-[(4-chloro-3-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazole
CID 80611877
2-[(4-bromopyrazol-1-yl)methyl]-5-chloropyrazine
CID 103054509
4-[(4-bromopyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 54909417
5-[(4-bromopyrazol-1-yl)methyl]-2-(4-ethylpiperazin-1-yl)-1,3-thiazole
CID 133498199
4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole
CID 130703277
2-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 19542109
4-bromo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyrazole
CID 162677552
5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 80608097
2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole
CID 79765764

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromopyrazol-1-yl)methyl]-5-chloro-1,3,4-thiadiazole?
The IUPAC name of 2-[(4-bromopyrazol-1-yl)methyl]-5-chloro-1,3,4-thiadiazole (CID 80610694) is 2-[(4-bromopyrazol-1-yl)methyl]-5-chloro-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(4-bromopyrazol-1-yl)methyl]-5-chloro-1,3,4-thiadiazole?
The canonical SMILES for 2-[(4-bromopyrazol-1-yl)methyl]-5-chloro-1,3,4-thiadiazole is Clc1nnc(Cn2cc(Br)cn2)s1.
What is the InChIKey of 2-[(4-bromopyrazol-1-yl)methyl]-5-chloro-1,3,4-thiadiazole?
The InChIKey is UYTCHJXEMJGFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClN4S/c7-4-1-9-12(2-4)3-5-10-11-6(8)13-5/h1-2H,3H2.
What are the key properties of 2-[(4-bromopyrazol-1-yl)methyl]-5-chloro-1,3,4-thiadiazole?
2-[(4-bromopyrazol-1-yl)methyl]-5-chloro-1,3,4-thiadiazole has a molecular weight of 279.55 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromopyrazol-1-yl)methyl]-5-chloro-1,3,4-thiadiazole is sourced from PubChem (CID 80610694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).