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

C13H16N6S2 — CID 36785703

IUPAC6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1csc(N2CCN(c3nn4cc(C)nc4s3)CC2)n1
InChIInChI=1S/C13H16N6S2/c1-9-7-19-12(14-9)21-13(16-19)18-5-3-17(4-6-18)11-15-10(2)8-20-11/h7-8H,3-6H2,1-2H3
InChIKeyPQCGHISJIOPEAE-UHFFFAOYSA-N
MW320.45 g/mol
LogP2.19
Rot. Bonds2

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

6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 36785703) has the molecular formula C13H16N6S2 and a molecular weight of 320.45 g/mol. Its IUPAC name is 6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID36785703
Molecular FormulaC13H16N6S2
Molecular Weight320.45 g/mol
Exact Mass320.09
IUPAC Name6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1csc(N2CCN(c3nn4cc(C)nc4s3)CC2)n1
InChIInChI=1S/C13H16N6S2/c1-9-7-19-12(14-9)21-13(16-19)18-5-3-17(4-6-18)11-15-10(2)8-20-11/h7-8H,3-6H2,1-2H3
InChIKeyPQCGHISJIOPEAE-UHFFFAOYSA-N
XLogP2.19
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (CID 36785703) is 6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is Cc1csc(N2CCN(c3nn4cc(C)nc4s3)CC2)n1.
What is the InChIKey of 6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is PQCGHISJIOPEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6S2/c1-9-7-19-12(14-9)21-13(16-19)18-5-3-17(4-6-18)11-15-10(2)8-20-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 320.45 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 36785703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).