6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione

C10H8ClN5OS — CID 114184770

IUPAC6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESS=c1[nH]c2cc(Cl)cnc2n1CCc1ncon1
InChIInChI=1S/C10H8ClN5OS/c11-6-3-7-9(12-4-6)16(10(18)14-7)2-1-8-13-5-17-15-8/h3-5H,1-2H2,(H,14,18)
InChIKeyMHTLPGKOAOBVLB-UHFFFAOYSA-N
MW281.73 g/mol
LogP2.37
Rot. Bonds3

About 6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione

6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 114184770) has the molecular formula C10H8ClN5OS and a molecular weight of 281.73 g/mol. Its IUPAC name is 6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID114184770
Molecular FormulaC10H8ClN5OS
Molecular Weight281.73 g/mol
Exact Mass281.01
IUPAC Name6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESS=c1[nH]c2cc(Cl)cnc2n1CCc1ncon1
InChIInChI=1S/C10H8ClN5OS/c11-6-3-7-9(12-4-6)16(10(18)14-7)2-1-8-13-5-17-15-8/h3-5H,1-2H2,(H,14,18)
InChIKeyMHTLPGKOAOBVLB-UHFFFAOYSA-N
XLogP2.37
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106419422
6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 106406257
3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 106406613
5-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione
CID 106405472
6-chloro-3-(3-methyl-2-propan-2-ylbutyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 102906759
6-chloro-3-(2-prop-2-enoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 114264734
3-amino-4-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-1,2,4-triazole-5-thione
CID 106408415
3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 106406619
3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole
CID 106407016
6-bromo-3-[2-(5-chlorothiophen-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106034767
6-chloro-3-(2,3-dimethoxypropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 114101010
3-ethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-1,2,4-triazole-5-thione
CID 106405299

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione (CID 114184770) is 6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione is S=c1[nH]c2cc(Cl)cnc2n1CCc1ncon1.
What is the InChIKey of 6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is MHTLPGKOAOBVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5OS/c11-6-3-7-9(12-4-6)16(10(18)14-7)2-1-8-13-5-17-15-8/h3-5H,1-2H2,(H,14,18).
What are the key properties of 6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 281.73 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 114184770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).