2-(7-bromo-2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)-N-(cyclohexylmethyl)acetamide

C16H20BrN3O2S — CID 155298436

IUPAC2-(7-bromo-2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)-N-(cyclohexylmethyl)acetamide
SMILESO=C(CC1Sc2ncc(Br)cc2NC1=O)NCC1CCCCC1
InChIInChI=1S/C16H20BrN3O2S/c17-11-6-12-16(19-9-11)23-13(15(22)20-12)7-14(21)18-8-10-4-2-1-3-5-10/h6,9-10,13H,1-5,7-8H2,(H,18,21)(H,20,22)
InChIKeyRHYDIPMJTIEHSZ-UHFFFAOYSA-N
MW398.33 g/mol
LogP3.34
Rot. Bonds4

About 2-(7-bromo-2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)-N-(cyclohexylmethyl)acetamide

2-(7-bromo-2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)-N-(cyclohexylmethyl)acetamide (PubChem CID 155298436) has the molecular formula C16H20BrN3O2S and a molecular weight of 398.33 g/mol. Its IUPAC name is 2-(7-bromo-2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-(7-bromo-2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)-N-(cyclohexylmethyl)acetamide
PubChem CID155298436
Molecular FormulaC16H20BrN3O2S
Molecular Weight398.33 g/mol
Exact Mass397.05
IUPAC Name2-(7-bromo-2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)-N-(cyclohexylmethyl)acetamide
SMILESO=C(CC1Sc2ncc(Br)cc2NC1=O)NCC1CCCCC1
InChIInChI=1S/C16H20BrN3O2S/c17-11-6-12-16(19-9-11)23-13(15(22)20-12)7-14(21)18-8-10-4-2-1-3-5-10/h6,9-10,13H,1-5,7-8H2,(H,18,21)(H,20,22)
InChIKeyRHYDIPMJTIEHSZ-UHFFFAOYSA-N
XLogP3.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-(7-bromo-2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)-N-(cyclohexylmethyl)acetamide (CID 155298436) is 2-(7-bromo-2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-(7-bromo-2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-(7-bromo-2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)-N-(cyclohexylmethyl)acetamide is O=C(CC1Sc2ncc(Br)cc2NC1=O)NCC1CCCCC1.
What is the InChIKey of 2-(7-bromo-2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)-N-(cyclohexylmethyl)acetamide?
The InChIKey is RHYDIPMJTIEHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O2S/c17-11-6-12-16(19-9-11)23-13(15(22)20-12)7-14(21)18-8-10-4-2-1-3-5-10/h6,9-10,13H,1-5,7-8H2,(H,18,21)(H,20,22).
What are the key properties of 2-(7-bromo-2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)-N-(cyclohexylmethyl)acetamide?
2-(7-bromo-2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)-N-(cyclohexylmethyl)acetamide has a molecular weight of 398.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)-N-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 155298436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).