6-methyl-3-[[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl]-1,3-benzothiazol-2-one

C22H18N4OS — CID 10134757

IUPAC6-methyl-3-[[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl]-1,3-benzothiazol-2-one
SMILESCc1ccc2c(c1)sc(=O)n2Cc1ccc(-n2c(C)nc3cnccc32)cc1
InChIInChI=1S/C22H18N4OS/c1-14-3-8-20-21(11-14)28-22(27)25(20)13-16-4-6-17(7-5-16)26-15(2)24-18-12-23-10-9-19(18)26/h3-12H,13H2,1-2H3
InChIKeyKAJSKQWRUSGHAA-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.46
Rot. Bonds3

About 6-methyl-3-[[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl]-1,3-benzothiazol-2-one

6-methyl-3-[[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl]-1,3-benzothiazol-2-one (PubChem CID 10134757) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is 6-methyl-3-[[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl]-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-methyl-3-[[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl]-1,3-benzothiazol-2-one
PubChem CID10134757
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC Name6-methyl-3-[[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl]-1,3-benzothiazol-2-one
SMILESCc1ccc2c(c1)sc(=O)n2Cc1ccc(-n2c(C)nc3cnccc32)cc1
InChIInChI=1S/C22H18N4OS/c1-14-3-8-20-21(11-14)28-22(27)25(20)13-16-4-6-17(7-5-16)26-15(2)24-18-12-23-10-9-19(18)26/h3-12H,13H2,1-2H3
InChIKeyKAJSKQWRUSGHAA-UHFFFAOYSA-N
XLogP4.46
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl]-1,3-benzothiazol-2-one?
The IUPAC name of 6-methyl-3-[[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl]-1,3-benzothiazol-2-one (CID 10134757) is 6-methyl-3-[[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl]-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-methyl-3-[[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl]-1,3-benzothiazol-2-one?
The canonical SMILES for 6-methyl-3-[[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl]-1,3-benzothiazol-2-one is Cc1ccc2c(c1)sc(=O)n2Cc1ccc(-n2c(C)nc3cnccc32)cc1.
What is the InChIKey of 6-methyl-3-[[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl]-1,3-benzothiazol-2-one?
The InChIKey is KAJSKQWRUSGHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c1-14-3-8-20-21(11-14)28-22(27)25(20)13-16-4-6-17(7-5-16)26-15(2)24-18-12-23-10-9-19(18)26/h3-12H,13H2,1-2H3.
What are the key properties of 6-methyl-3-[[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl]-1,3-benzothiazol-2-one?
6-methyl-3-[[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl]-1,3-benzothiazol-2-one has a molecular weight of 386.48 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl]-1,3-benzothiazol-2-one is sourced from PubChem (CID 10134757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).