[6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-3-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C21H21ClN4O4S — CID 90683560

IUPAC[6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-3-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCc1onc(-c2ccc(Cl)cc2)c1CNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C21H21ClN4O4S/c1-14-18(20(25-30-14)15-2-5-17(22)6-3-15)13-24-19-7-4-16(12-23-19)21(27)26-8-10-31(28,29)11-9-26/h2-7,12H,8-11,13H2,1H3,(H,23,24)
InChIKeyGBOOWWICFBDHMY-UHFFFAOYSA-N
MW460.94 g/mol
LogP3.18
Rot. Bonds5

About [6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-3-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

[6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-3-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 90683560) has the molecular formula C21H21ClN4O4S and a molecular weight of 460.94 g/mol. Its IUPAC name is [6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-3-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-3-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID90683560
Molecular FormulaC21H21ClN4O4S
Molecular Weight460.94 g/mol
Exact Mass460.10
IUPAC Name[6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-3-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCc1onc(-c2ccc(Cl)cc2)c1CNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C21H21ClN4O4S/c1-14-18(20(25-30-14)15-2-5-17(22)6-3-15)13-24-19-7-4-16(12-23-19)21(27)26-8-10-31(28,29)11-9-26/h2-7,12H,8-11,13H2,1H3,(H,23,24)
InChIKeyGBOOWWICFBDHMY-UHFFFAOYSA-N
XLogP3.18
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-3-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-3-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-3-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 90683560) is [6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-3-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-3-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-3-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is Cc1onc(-c2ccc(Cl)cc2)c1CNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1.
What is the InChIKey of [6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-3-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is GBOOWWICFBDHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O4S/c1-14-18(20(25-30-14)15-2-5-17(22)6-3-15)13-24-19-7-4-16(12-23-19)21(27)26-8-10-31(28,29)11-9-26/h2-7,12H,8-11,13H2,1H3,(H,23,24).
What are the key properties of [6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-3-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
[6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-3-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 460.94 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-3-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 90683560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).