2-(3-fluorophenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide

C19H18FN3O3S — CID 655191

IUPAC2-(3-fluorophenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1cccc(NC(=O)C2CC(=O)N(C)/C(=N/c3cccc(F)c3)S2)c1
InChIInChI=1S/C19H18FN3O3S/c1-23-17(24)11-16(18(25)21-14-7-4-8-15(10-14)26-2)27-19(23)22-13-6-3-5-12(20)9-13/h3-10,16H,11H2,1-2H3,(H,21,25)/b22-19-
InChIKeyKCNVABCHNAWYPA-QOCHGBHMSA-N
MW387.44 g/mol
LogP3.42
Rot. Bonds4

About 2-(3-fluorophenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide

2-(3-fluorophenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 655191) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID655191
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name2-(3-fluorophenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1cccc(NC(=O)C2CC(=O)N(C)/C(=N/c3cccc(F)c3)S2)c1
InChIInChI=1S/C19H18FN3O3S/c1-23-17(24)11-16(18(25)21-14-7-4-8-15(10-14)26-2)27-19(23)22-13-6-3-5-12(20)9-13/h3-10,16H,11H2,1-2H3,(H,21,25)/b22-19-
InChIKeyKCNVABCHNAWYPA-QOCHGBHMSA-N
XLogP3.42
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (CID 655191) is 2-(3-fluorophenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is COc1cccc(NC(=O)C2CC(=O)N(C)/C(=N/c3cccc(F)c3)S2)c1.
What is the InChIKey of 2-(3-fluorophenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is KCNVABCHNAWYPA-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-23-17(24)11-16(18(25)21-14-7-4-8-15(10-14)26-2)27-19(23)22-13-6-3-5-12(20)9-13/h3-10,16H,11H2,1-2H3,(H,21,25)/b22-19-.
What are the key properties of 2-(3-fluorophenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
2-(3-fluorophenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 655191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).