(5,6,7-trimethoxy-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol

C14H16N2O4S — CID 15086002

IUPAC(5,6,7-trimethoxy-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol
SMILESCOc1cc2c(sc3nc(C)c(CO)n32)c(OC)c1OC
InChIInChI=1S/C14H16N2O4S/c1-7-9(6-17)16-8-5-10(18-2)11(19-3)12(20-4)13(8)21-14(16)15-7/h5,17H,6H2,1-4H3
InChIKeyRNXBGQAUPHBWJH-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.38
Rot. Bonds4

About (5,6,7-trimethoxy-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol

(5,6,7-trimethoxy-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol (PubChem CID 15086002) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is (5,6,7-trimethoxy-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol.

Molecular Properties

Compound Name(5,6,7-trimethoxy-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol
PubChem CID15086002
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name(5,6,7-trimethoxy-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol
SMILESCOc1cc2c(sc3nc(C)c(CO)n32)c(OC)c1OC
InChIInChI=1S/C14H16N2O4S/c1-7-9(6-17)16-8-5-10(18-2)11(19-3)12(20-4)13(8)21-14(16)15-7/h5,17H,6H2,1-4H3
InChIKeyRNXBGQAUPHBWJH-UHFFFAOYSA-N
XLogP2.38
TPSA65.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5,6,7-trimethoxy-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol?
The IUPAC name of (5,6,7-trimethoxy-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol (CID 15086002) is (5,6,7-trimethoxy-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol.
What is the SMILES notation for (5,6,7-trimethoxy-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol?
The canonical SMILES for (5,6,7-trimethoxy-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol is COc1cc2c(sc3nc(C)c(CO)n32)c(OC)c1OC.
What is the InChIKey of (5,6,7-trimethoxy-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol?
The InChIKey is RNXBGQAUPHBWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-7-9(6-17)16-8-5-10(18-2)11(19-3)12(20-4)13(8)21-14(16)15-7/h5,17H,6H2,1-4H3.
What are the key properties of (5,6,7-trimethoxy-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol?
(5,6,7-trimethoxy-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol has a molecular weight of 308.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6,7-trimethoxy-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol is sourced from PubChem (CID 15086002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).