2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

C20H20N4O4S — CID 40798058

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESO=C([C@@H]1CN(C(=O)Cc2cn3ccsc3n2)c2ccccc2O1)N1CCOCC1
InChIInChI=1S/C20H20N4O4S/c25-18(11-14-12-23-7-10-29-20(23)21-14)24-13-17(19(26)22-5-8-27-9-6-22)28-16-4-2-1-3-15(16)24/h1-4,7,10,12,17H,5-6,8-9,11,13H2/t17-/m0/s1
InChIKeyZDXSGLBGSAMKAU-KRWDZBQOSA-N
MW412.47 g/mol
LogP1.59
Rot. Bonds3

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (PubChem CID 40798058) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
PubChem CID40798058
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESO=C([C@@H]1CN(C(=O)Cc2cn3ccsc3n2)c2ccccc2O1)N1CCOCC1
InChIInChI=1S/C20H20N4O4S/c25-18(11-14-12-23-7-10-29-20(23)21-14)24-13-17(19(26)22-5-8-27-9-6-22)28-16-4-2-1-3-15(16)24/h1-4,7,10,12,17H,5-6,8-9,11,13H2/t17-/m0/s1
InChIKeyZDXSGLBGSAMKAU-KRWDZBQOSA-N
XLogP1.59
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone with MolForge

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Related Compounds

(2R)-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 25373042
7-[[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 9155350
4-methyl-3-[2-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-one
CID 9450417
2-benzo[e][1]benzofuran-1-yl-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 24506163
2-(3-methoxyphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 27446738
2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 24506214
N-[4-[2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 24571008
morpholin-4-yl-[(2R)-4-(quinoxaline-2-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanone
CID 9450478
[4-(4-fluorobenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 17464763
[(2R)-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 9246660
[(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 96540784
[(2S)-4-(3,5-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 27446728

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (CID 40798058) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is O=C([C@@H]1CN(C(=O)Cc2cn3ccsc3n2)c2ccccc2O1)N1CCOCC1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The InChIKey is ZDXSGLBGSAMKAU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N4O4S/c25-18(11-14-12-23-7-10-29-20(23)21-14)24-13-17(19(26)22-5-8-27-9-6-22)28-16-4-2-1-3-15(16)24/h1-4,7,10,12,17H,5-6,8-9,11,13H2/t17-/m0/s1.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone has a molecular weight of 412.47 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is sourced from PubChem (CID 40798058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).