4-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole

C13H10N4OS2 — CID 118068407

IUPAC4-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole
SMILESCOc1cccc2sc(-c3cn4nc(C)sc4n3)nc12
InChIInChI=1S/C13H10N4OS2/c1-7-16-17-6-8(14-13(17)19-7)12-15-11-9(18-2)4-3-5-10(11)20-12/h3-6H,1-2H3
InChIKeyBVCJOGOJUXITTD-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.38
Rot. Bonds2

About 4-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole

4-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole (PubChem CID 118068407) has the molecular formula C13H10N4OS2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name4-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole
PubChem CID118068407
Molecular FormulaC13H10N4OS2
Molecular Weight302.38 g/mol
Exact Mass302.03
IUPAC Name4-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole
SMILESCOc1cccc2sc(-c3cn4nc(C)sc4n3)nc12
InChIInChI=1S/C13H10N4OS2/c1-7-16-17-6-8(14-13(17)19-7)12-15-11-9(18-2)4-3-5-10(11)20-12/h3-6H,1-2H3
InChIKeyBVCJOGOJUXITTD-UHFFFAOYSA-N
XLogP3.38
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

CID 13473717
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CID 53250347
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CID 53251930
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CID 53252089
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CID 72201562
CID 72201562
CID 72201564
CID 72201564
CID 89873594
CID 89873594
CID 118070611
CID 118070611
CID 118070677
CID 118070677
CID 46869391
CID 46869391
CID 89873553
CID 89873553
CID 89873591
CID 89873591

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole?
The IUPAC name of 4-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole (CID 118068407) is 4-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole.
What is the SMILES notation for 4-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole?
The canonical SMILES for 4-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole is COc1cccc2sc(-c3cn4nc(C)sc4n3)nc12.
What is the InChIKey of 4-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole?
The InChIKey is BVCJOGOJUXITTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS2/c1-7-16-17-6-8(14-13(17)19-7)12-15-11-9(18-2)4-3-5-10(11)20-12/h3-6H,1-2H3.
What are the key properties of 4-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole?
4-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole has a molecular weight of 302.38 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole is sourced from PubChem (CID 118068407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).