(5,6-dichloro-3-pyridinyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone

C16H13Cl2N3OS — CID 8749122

IUPAC(5,6-dichloro-3-pyridinyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone
SMILESO=C(c1cnc(Cl)c(Cl)c1)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C16H13Cl2N3OS/c17-13-9-11(10-19-14(13)18)15(22)21-7-4-8-23-16(21)20-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8H2/b20-16-
InChIKeyFLTIARZWBDMFBM-SILNSSARSA-N
MW366.27 g/mol
LogP4.66
Rot. Bonds2

About (5,6-dichloro-3-pyridinyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone

(5,6-dichloro-3-pyridinyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone (PubChem CID 8749122) has the molecular formula C16H13Cl2N3OS and a molecular weight of 366.27 g/mol. Its IUPAC name is (5,6-dichloro-3-pyridinyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone.

Molecular Properties

Compound Name(5,6-dichloro-3-pyridinyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone
PubChem CID8749122
Molecular FormulaC16H13Cl2N3OS
Molecular Weight366.27 g/mol
Exact Mass365.02
IUPAC Name(5,6-dichloro-3-pyridinyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone
SMILESO=C(c1cnc(Cl)c(Cl)c1)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C16H13Cl2N3OS/c17-13-9-11(10-19-14(13)18)15(22)21-7-4-8-23-16(21)20-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8H2/b20-16-
InChIKeyFLTIARZWBDMFBM-SILNSSARSA-N
XLogP4.66
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[3-(3,4-dichlorobenzoyl)-1,3-thiazinan-2-ylidene]amino]phenyl]ethanone
CID 7943591
2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
CID 7948452
1-[4-[[3-(3,5-dimethylbenzoyl)-1,3-thiazinan-2-ylidene]amino]phenyl]ethanone
CID 7943621
3-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinane-3-carbonyl]benzonitrile
CID 7943512
[2-(4-ethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone
CID 7948630
(3-chlorophenyl)-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone
CID 7916179
2-(2-benzylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
CID 7948461
4-[2-(3,4-dichlorophenyl)imino-1,3-thiazinane-3-carbonyl]-2-ethylphthalazin-1-one
CID 55335519
1-benzyl-4-(2-phenylimino-1,3-thiazinane-3-carbonyl)pyrrolidin-2-one
CID 42906262
[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanone
CID 2475888
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5,6-dichloro-3-pyridinyl)methanone
CID 78989235
2-(4-benzoylphenoxy)-1-[2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinan-3-yl]ethanone
CID 5137010

Frequently Asked Questions

What is the IUPAC name of (5,6-dichloro-3-pyridinyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone?
The IUPAC name of (5,6-dichloro-3-pyridinyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone (CID 8749122) is (5,6-dichloro-3-pyridinyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone.
What is the SMILES notation for (5,6-dichloro-3-pyridinyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone?
The canonical SMILES for (5,6-dichloro-3-pyridinyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone is O=C(c1cnc(Cl)c(Cl)c1)N1CCCS/C1=N\c1ccccc1.
What is the InChIKey of (5,6-dichloro-3-pyridinyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone?
The InChIKey is FLTIARZWBDMFBM-SILNSSARSA-N. The full InChI is InChI=1S/C16H13Cl2N3OS/c17-13-9-11(10-19-14(13)18)15(22)21-7-4-8-23-16(21)20-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8H2/b20-16-.
What are the key properties of (5,6-dichloro-3-pyridinyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone?
(5,6-dichloro-3-pyridinyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone has a molecular weight of 366.27 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dichloro-3-pyridinyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone is sourced from PubChem (CID 8749122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).