6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole

C9H8N4S3 — CID 47156046

IUPAC6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1csc(Sc2nn3cc(C)nc3s2)n1
InChIInChI=1S/C9H8N4S3/c1-5-3-13-7(10-5)15-9(12-13)16-8-11-6(2)4-14-8/h3-4H,1-2H3
InChIKeyIQKUXJWRQBOSJM-UHFFFAOYSA-N
MW268.39 g/mol
LogP3.02
Rot. Bonds2

About 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole

6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 47156046) has the molecular formula C9H8N4S3 and a molecular weight of 268.39 g/mol. Its IUPAC name is 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID47156046
Molecular FormulaC9H8N4S3
Molecular Weight268.39 g/mol
Exact Mass267.99
IUPAC Name6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1csc(Sc2nn3cc(C)nc3s2)n1
InChIInChI=1S/C9H8N4S3/c1-5-3-13-7(10-5)15-9(12-13)16-8-11-6(2)4-14-8/h3-4H,1-2H3
InChIKeyIQKUXJWRQBOSJM-UHFFFAOYSA-N
XLogP3.02
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole (CID 47156046) is 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole is Cc1csc(Sc2nn3cc(C)nc3s2)n1.
What is the InChIKey of 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is IQKUXJWRQBOSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4S3/c1-5-3-13-7(10-5)15-9(12-13)16-8-11-6(2)4-14-8/h3-4H,1-2H3.
What are the key properties of 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole?
6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 268.39 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 47156046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).