[6-(2-amino-5-methyl-3,4-dihydro-2H-1,3-benzothiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone

C20H23N5O2S — CID 71003723

IUPAC[6-(2-amino-5-methyl-3,4-dihydro-2H-1,3-benzothiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESCC1(c2ccc3ncc(C(=O)N4CCOCC4)n3c2)C=CC2=C(C1)NC(N)S2
InChIInChI=1S/C20H23N5O2S/c1-20(5-4-16-14(10-20)23-19(21)28-16)13-2-3-17-22-11-15(25(17)12-13)18(26)24-6-8-27-9-7-24/h2-5,11-12,19,23H,6-10,21H2,1H3
InChIKeyOVHPKSXRPXMISL-UHFFFAOYSA-N
MW397.50 g/mol
LogP1.81
Rot. Bonds2

About [6-(2-amino-5-methyl-3,4-dihydro-2H-1,3-benzothiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone

[6-(2-amino-5-methyl-3,4-dihydro-2H-1,3-benzothiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone (PubChem CID 71003723) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is [6-(2-amino-5-methyl-3,4-dihydro-2H-1,3-benzothiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(2-amino-5-methyl-3,4-dihydro-2H-1,3-benzothiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
PubChem CID71003723
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name[6-(2-amino-5-methyl-3,4-dihydro-2H-1,3-benzothiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESCC1(c2ccc3ncc(C(=O)N4CCOCC4)n3c2)C=CC2=C(C1)NC(N)S2
InChIInChI=1S/C20H23N5O2S/c1-20(5-4-16-14(10-20)23-19(21)28-16)13-2-3-17-22-11-15(25(17)12-13)18(26)24-6-8-27-9-7-24/h2-5,11-12,19,23H,6-10,21H2,1H3
InChIKeyOVHPKSXRPXMISL-UHFFFAOYSA-N
XLogP1.81
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-5-methyl-3,4-dihydro-2H-1,3-benzothiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(2-amino-5-methyl-3,4-dihydro-2H-1,3-benzothiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone (CID 71003723) is [6-(2-amino-5-methyl-3,4-dihydro-2H-1,3-benzothiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(2-amino-5-methyl-3,4-dihydro-2H-1,3-benzothiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(2-amino-5-methyl-3,4-dihydro-2H-1,3-benzothiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone is CC1(c2ccc3ncc(C(=O)N4CCOCC4)n3c2)C=CC2=C(C1)NC(N)S2.
What is the InChIKey of [6-(2-amino-5-methyl-3,4-dihydro-2H-1,3-benzothiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is OVHPKSXRPXMISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-20(5-4-16-14(10-20)23-19(21)28-16)13-2-3-17-22-11-15(25(17)12-13)18(26)24-6-8-27-9-7-24/h2-5,11-12,19,23H,6-10,21H2,1H3.
What are the key properties of [6-(2-amino-5-methyl-3,4-dihydro-2H-1,3-benzothiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone?
[6-(2-amino-5-methyl-3,4-dihydro-2H-1,3-benzothiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 397.50 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-5-methyl-3,4-dihydro-2H-1,3-benzothiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71003723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).