2-(2-chloro-6-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone

C18H16ClFN2OS — CID 7948448

IUPAC2-(2-chloro-6-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C18H16ClFN2OS/c19-15-8-4-9-16(20)14(15)12-17(23)22-10-5-11-24-18(22)21-13-6-2-1-3-7-13/h1-4,6-9H,5,10-12H2/b21-18-
InChIKeyKXIJCFDQZPABIG-UZYVYHOESA-N
MW362.86 g/mol
LogP4.67
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone (PubChem CID 7948448) has the molecular formula C18H16ClFN2OS and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
PubChem CID7948448
Molecular FormulaC18H16ClFN2OS
Molecular Weight362.86 g/mol
Exact Mass362.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C18H16ClFN2OS/c19-15-8-4-9-16(20)14(15)12-17(23)22-10-5-11-24-18(22)21-13-6-2-1-3-7-13/h1-4,6-9H,5,10-12H2/b21-18-
InChIKeyKXIJCFDQZPABIG-UZYVYHOESA-N
XLogP4.67
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-4-fluorobenzyl)sulfanyl]-3-methylquinazolin-4(3H)-one
CID 17022336
3-benzyl-2-[(2-chlorobenzyl)sulfanyl]-4(3H)-quinazolinone
CID 4327791
2-[(2-Chloro-4-fluorophenyl)methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 2089296
2-[(2-Chlorophenyl)methylsulfanyl]-3-ethylquinazolin-4-one
CID 1162812
2-[(2-Chloro-6-fluorobenzyl)sulfanyl]-3-methyl-4(3H)-quinazolinone
CID 2172316
1-[2-(3-Chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2,2-diphenylethanone
CID 2446527
2-{[(2-Chloro-6-fluorophenyl)methyl]sulfanyl}-3-(cyclopropylmethyl)-3,4-dihydroquinazolin-4-one
CID 2730521
(2E)-N-(3-chloro-4-methylphenyl)-2-[(3-fluorophenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3591502
(2Z)-2-[(3-chloro-4-methylphenyl)imino]-N-(4-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3848768
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(3-ethoxypropyl)quinazolin-4(3H)-one
CID 4591630
(2E)-N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 5186550
2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-3-cyclopropylquinazolin-4-one
CID 7029201

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone (CID 7948448) is 2-(2-chloro-6-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone is O=C(Cc1c(F)cccc1Cl)N1CCCS/C1=N\c1ccccc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
The InChIKey is KXIJCFDQZPABIG-UZYVYHOESA-N. The full InChI is InChI=1S/C18H16ClFN2OS/c19-15-8-4-9-16(20)14(15)12-17(23)22-10-5-11-24-18(22)21-13-6-2-1-3-7-13/h1-4,6-9H,5,10-12H2/b21-18-.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone has a molecular weight of 362.86 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone is sourced from PubChem (CID 7948448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).