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

C10H7ClN4S2 — CID 46795169

IUPAC2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazole
SMILESClc1ccc2nc(CSc3nncs3)cn2c1
InChIInChI=1S/C10H7ClN4S2/c11-7-1-2-9-13-8(4-15(9)3-7)5-16-10-14-12-6-17-10/h1-4,6H,5H2
InChIKeyBGXQADLPPNJLQS-UHFFFAOYSA-N
MW282.78 g/mol
LogP3.13
Rot. Bonds3

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

2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazole (PubChem CID 46795169) has the molecular formula C10H7ClN4S2 and a molecular weight of 282.78 g/mol. Its IUPAC name is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazole
PubChem CID46795169
Molecular FormulaC10H7ClN4S2
Molecular Weight282.78 g/mol
Exact Mass281.98
IUPAC Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazole
SMILESClc1ccc2nc(CSc3nncs3)cn2c1
InChIInChI=1S/C10H7ClN4S2/c11-7-1-2-9-13-8(4-15(9)3-7)5-16-10-14-12-6-17-10/h1-4,6H,5H2
InChIKeyBGXQADLPPNJLQS-UHFFFAOYSA-N
XLogP3.13
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.78
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(4-chlorophenyl)triazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole
CID 71858539
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethyl-trimethylsilane
CID 165473185
6-chloro-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 6415925
2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine
CID 4564792
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid
CID 4262836
6-chloro-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 40524762
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-fluoroaniline
CID 79148325
2-benzyl-5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 40583538
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 40569985
2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloroimidazo[1,2-a]pyridine
CID 18166692
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
CID 47235080
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine
CID 84601588

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazole (CID 46795169) is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazole is Clc1ccc2nc(CSc3nncs3)cn2c1.
What is the InChIKey of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazole?
The InChIKey is BGXQADLPPNJLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4S2/c11-7-1-2-9-13-8(4-15(9)3-7)5-16-10-14-12-6-17-10/h1-4,6H,5H2.
What are the key properties of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazole?
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazole has a molecular weight of 282.78 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 46795169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).