4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine

C20H21FN6S — CID 150294435

IUPAC4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine
SMILESCc1cn2nc(-c3cc(F)c4nc(N(C)C5CCNCC5)sc4c3)ccc2n1
InChIInChI=1S/C20H21FN6S/c1-12-11-27-18(23-12)4-3-16(25-27)13-9-15(21)19-17(10-13)28-20(24-19)26(2)14-5-7-22-8-6-14/h3-4,9-11,14,22H,5-8H2,1-2H3
InChIKeyGIHCTIMUAPFVNG-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.64
Rot. Bonds3

About 4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine

4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine (PubChem CID 150294435) has the molecular formula C20H21FN6S and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine
PubChem CID150294435
Molecular FormulaC20H21FN6S
Molecular Weight396.50 g/mol
Exact Mass396.15
IUPAC Name4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine
SMILESCc1cn2nc(-c3cc(F)c4nc(N(C)C5CCNCC5)sc4c3)ccc2n1
InChIInChI=1S/C20H21FN6S/c1-12-11-27-18(23-12)4-3-16(25-27)13-9-15(21)19-17(10-13)28-20(24-19)26(2)14-5-7-22-8-6-14/h3-4,9-11,14,22H,5-8H2,1-2H3
InChIKeyGIHCTIMUAPFVNG-UHFFFAOYSA-N
XLogP3.64
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine (CID 150294435) is 4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine is Cc1cn2nc(-c3cc(F)c4nc(N(C)C5CCNCC5)sc4c3)ccc2n1.
What is the InChIKey of 4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine?
The InChIKey is GIHCTIMUAPFVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6S/c1-12-11-27-18(23-12)4-3-16(25-27)13-9-15(21)19-17(10-13)28-20(24-19)26(2)14-5-7-22-8-6-14/h3-4,9-11,14,22H,5-8H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine?
4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine has a molecular weight of 396.50 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 150294435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).