2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

C14H13N5S — CID 107646243

IUPAC2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nn2cc(-c3nc4ccccc4n3C)nc2s1
InChIInChI=1S/C14H13N5S/c1-3-12-17-19-8-10(16-14(19)20-12)13-15-9-6-4-5-7-11(9)18(13)2/h4-8H,3H2,1-2H3
InChIKeyNOPYKCDLTFSPIN-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.91
Rot. Bonds2

About 2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 107646243) has the molecular formula C14H13N5S and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID107646243
Molecular FormulaC14H13N5S
Molecular Weight283.36 g/mol
Exact Mass283.09
IUPAC Name2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nn2cc(-c3nc4ccccc4n3C)nc2s1
InChIInChI=1S/C14H13N5S/c1-3-12-17-19-8-10(16-14(19)20-12)13-15-9-6-4-5-7-11(9)18(13)2/h4-8H,3H2,1-2H3
InChIKeyNOPYKCDLTFSPIN-UHFFFAOYSA-N
XLogP2.91
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phosphane
CID 126729495
N,N-diethyl-2-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethanamine;trihydrochloride
CID 24838920
6-(1,3-dimethylpyrazol-4-yl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646225
6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 703338
1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole
CID 15804948
2-ethyl-6-(1-methylbenzimidazol-2-yl)pyridine-3-carboxylic acid
CID 116532988
2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209802
3-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]pentan-3-amine
CID 61336692
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole
CID 71344812
4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine
CID 16789350
1-methyl-2-thiophen-2-ylbenzimidazole
CID 931177
1-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanone
CID 63379627

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 107646243) is 2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is CCc1nn2cc(-c3nc4ccccc4n3C)nc2s1.
What is the InChIKey of 2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is NOPYKCDLTFSPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5S/c1-3-12-17-19-8-10(16-14(19)20-12)13-15-9-6-4-5-7-11(9)18(13)2/h4-8H,3H2,1-2H3.
What are the key properties of 2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 283.36 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 107646243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).