1-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone

C16H13N3O2S2 — CID 71999266

IUPAC1-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
SMILESO=C(Cc1coc(-c2cccs2)n1)N1CCSc2ncccc21
InChIInChI=1S/C16H13N3O2S2/c20-14(19-6-8-23-16-12(19)3-1-5-17-16)9-11-10-21-15(18-11)13-4-2-7-22-13/h1-5,7,10H,6,8-9H2
InChIKeyDHBAHPGRQWPBKR-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.48
Rot. Bonds3

About 1-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone

1-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone (PubChem CID 71999266) has the molecular formula C16H13N3O2S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
PubChem CID71999266
Molecular FormulaC16H13N3O2S2
Molecular Weight343.43 g/mol
Exact Mass343.04
IUPAC Name1-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
SMILESO=C(Cc1coc(-c2cccs2)n1)N1CCSc2ncccc21
InChIInChI=1S/C16H13N3O2S2/c20-14(19-6-8-23-16-12(19)3-1-5-17-16)9-11-10-21-15(18-11)13-4-2-7-22-13/h1-5,7,10H,6,8-9H2
InChIKeyDHBAHPGRQWPBKR-UHFFFAOYSA-N
XLogP3.48
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 126778184
1-(3-aminopiperidin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 119377508
1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167729
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119635255
2-[(2S)-4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 124702570
4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid
CID 119216735
1-[(5S,7R)-5,7-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 95612158
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119661796
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119596982
N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 111463482
(2S,3aR,7aR)-1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125132886

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 1-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone (CID 71999266) is 1-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone is O=C(Cc1coc(-c2cccs2)n1)N1CCSc2ncccc21.
What is the InChIKey of 1-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone?
The InChIKey is DHBAHPGRQWPBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S2/c20-14(19-6-8-23-16-12(19)3-1-5-17-16)9-11-10-21-15(18-11)13-4-2-7-22-13/h1-5,7,10H,6,8-9H2.
What are the key properties of 1-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone?
1-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone has a molecular weight of 343.43 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 71999266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).