2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole

C11H9BrN4S2 — CID 47235080

IUPAC2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(SCc2cn3cc(Br)ccc3n2)s1
InChIInChI=1S/C11H9BrN4S2/c1-7-14-15-11(18-7)17-6-9-5-16-4-8(12)2-3-10(16)13-9/h2-5H,6H2,1H3
InChIKeyHKQOGPBWFFTXMX-UHFFFAOYSA-N
MW341.26 g/mol
LogP3.55
Rot. Bonds3

About 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole

2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 47235080) has the molecular formula C11H9BrN4S2 and a molecular weight of 341.26 g/mol. Its IUPAC name is 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
PubChem CID47235080
Molecular FormulaC11H9BrN4S2
Molecular Weight341.26 g/mol
Exact Mass339.95
IUPAC Name2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(SCc2cn3cc(Br)ccc3n2)s1
InChIInChI=1S/C11H9BrN4S2/c1-7-14-15-11(18-7)17-6-9-5-16-4-8(12)2-3-10(16)13-9/h2-5H,6H2,1H3
InChIKeyHKQOGPBWFFTXMX-UHFFFAOYSA-N
XLogP3.55
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole
CID 2227390
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazole
CID 46795169
(6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol
CID 117256103
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51210410
2-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 4069691
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 112776777
N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propyl]acetamide
CID 71922955
3-bromo-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
CID 82841387
2-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
CID 79147590
2-[(4-bromophenyl)methyl]-6-methylimidazo[1,2-a]pyridine
CID 117130599
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47067642
(1S)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 97230453

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole (CID 47235080) is 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(SCc2cn3cc(Br)ccc3n2)s1.
What is the InChIKey of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is HKQOGPBWFFTXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4S2/c1-7-14-15-11(18-7)17-6-9-5-16-4-8(12)2-3-10(16)13-9/h2-5H,6H2,1H3.
What are the key properties of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole?
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 341.26 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 47235080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).