[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone

C17H11Cl2N3O2S — CID 99818621

IUPAC[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone
SMILESO=C(c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1CCOc2ncccc21
InChIInChI=1S/C17H11Cl2N3O2S/c18-11-4-3-10(8-12(11)19)16-21-13(9-25-16)17(23)22-6-7-24-15-14(22)2-1-5-20-15/h1-5,8-9H,6-7H2
InChIKeyGBVSVJFHOUMKIY-UHFFFAOYSA-N
MW392.27 g/mol
LogP4.55
Rot. Bonds2

About [2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone

[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone (PubChem CID 99818621) has the molecular formula C17H11Cl2N3O2S and a molecular weight of 392.27 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone
PubChem CID99818621
Molecular FormulaC17H11Cl2N3O2S
Molecular Weight392.27 g/mol
Exact Mass390.99
IUPAC Name[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone
SMILESO=C(c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1CCOc2ncccc21
InChIInChI=1S/C17H11Cl2N3O2S/c18-11-4-3-10(8-12(11)19)16-21-13(9-25-16)17(23)22-6-7-24-15-14(22)2-1-5-20-15/h1-5,8-9H,6-7H2
InChIKeyGBVSVJFHOUMKIY-UHFFFAOYSA-N
XLogP4.55
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-methyl-1,2-oxazol-5-yl)methanone
CID 75376530
[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 84553156
1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354490
1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 60600926
tert-butyl 4-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 60597678
[4-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 60597279
1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3,3,3-trifluoropropan-1-one
CID 166223828
1,4-diazepan-1-yl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]methanone
CID 119415859
[3-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119592949
(8-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 56587864
[4-(2-chlorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 25356068
2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbothioamide
CID 82515868

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone?
The IUPAC name of [2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone (CID 99818621) is [2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone?
The canonical SMILES for [2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone is O=C(c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1CCOc2ncccc21.
What is the InChIKey of [2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone?
The InChIKey is GBVSVJFHOUMKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O2S/c18-11-4-3-10(8-12(11)19)16-21-13(9-25-16)17(23)22-6-7-24-15-14(22)2-1-5-20-15/h1-5,8-9H,6-7H2.
What are the key properties of [2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone?
[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone has a molecular weight of 392.27 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone is sourced from PubChem (CID 99818621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).