6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one

C20H23ClN4O2S — CID 139666275

IUPAC6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
SMILESO=C1COc2c(C3=CSC4=NCCN34)cc(Cl)cc2N1CCN1CCCCC1
InChIInChI=1S/C20H23ClN4O2S/c21-14-10-15(17-13-28-20-22-4-7-25(17)20)19-16(11-14)24(18(26)12-27-19)9-8-23-5-2-1-3-6-23/h10-11,13H,1-9,12H2
InChIKeyQFFUWMBBHQFBQW-UHFFFAOYSA-N
MW418.95 g/mol
LogP3.27
Rot. Bonds4

About 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one

6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one (PubChem CID 139666275) has the molecular formula C20H23ClN4O2S and a molecular weight of 418.95 g/mol. Its IUPAC name is 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
PubChem CID139666275
Molecular FormulaC20H23ClN4O2S
Molecular Weight418.95 g/mol
Exact Mass418.12
IUPAC Name6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
SMILESO=C1COc2c(C3=CSC4=NCCN34)cc(Cl)cc2N1CCN1CCCCC1
InChIInChI=1S/C20H23ClN4O2S/c21-14-10-15(17-13-28-20-22-4-7-25(17)20)19-16(11-14)24(18(26)12-27-19)9-8-23-5-2-1-3-6-23/h10-11,13H,1-9,12H2
InChIKeyQFFUWMBBHQFBQW-UHFFFAOYSA-N
XLogP3.27
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one (CID 139666275) is 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one is O=C1COc2c(C3=CSC4=NCCN34)cc(Cl)cc2N1CCN1CCCCC1.
What is the InChIKey of 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one?
The InChIKey is QFFUWMBBHQFBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2S/c21-14-10-15(17-13-28-20-22-4-7-25(17)20)19-16(11-14)24(18(26)12-27-19)9-8-23-5-2-1-3-6-23/h10-11,13H,1-9,12H2.
What are the key properties of 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one?
6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one has a molecular weight of 418.95 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 139666275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).