(2-chloro-3-methylphenyl)-(2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl)methanone

C15H13ClN2OS — CID 75469753

IUPAC(2-chloro-3-methylphenyl)-(2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl)methanone
SMILESCc1cccc(C(=O)N2CCSc3ccncc32)c1Cl
InChIInChI=1S/C15H13ClN2OS/c1-10-3-2-4-11(14(10)16)15(19)18-7-8-20-13-5-6-17-9-12(13)18/h2-6,9H,7-8H2,1H3
InChIKeyGEIAYXMGRFJMAS-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.80
Rot. Bonds1

About (2-chloro-3-methylphenyl)-(2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl)methanone

(2-chloro-3-methylphenyl)-(2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl)methanone (PubChem CID 75469753) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is (2-chloro-3-methylphenyl)-(2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-methylphenyl)-(2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl)methanone
PubChem CID75469753
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name(2-chloro-3-methylphenyl)-(2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl)methanone
SMILESCc1cccc(C(=O)N2CCSc3ccncc32)c1Cl
InChIInChI=1S/C15H13ClN2OS/c1-10-3-2-4-11(14(10)16)15(19)18-7-8-20-13-5-6-17-9-12(13)18/h2-6,9H,7-8H2,1H3
InChIKeyGEIAYXMGRFJMAS-UHFFFAOYSA-N
XLogP3.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-methylphenyl)-(2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl)methanone?
The IUPAC name of (2-chloro-3-methylphenyl)-(2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl)methanone (CID 75469753) is (2-chloro-3-methylphenyl)-(2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl)methanone.
What is the SMILES notation for (2-chloro-3-methylphenyl)-(2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl)methanone?
The canonical SMILES for (2-chloro-3-methylphenyl)-(2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl)methanone is Cc1cccc(C(=O)N2CCSc3ccncc32)c1Cl.
What is the InChIKey of (2-chloro-3-methylphenyl)-(2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl)methanone?
The InChIKey is GEIAYXMGRFJMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-10-3-2-4-11(14(10)16)15(19)18-7-8-20-13-5-6-17-9-12(13)18/h2-6,9H,7-8H2,1H3.
What are the key properties of (2-chloro-3-methylphenyl)-(2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl)methanone?
(2-chloro-3-methylphenyl)-(2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl)methanone has a molecular weight of 304.80 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-methylphenyl)-(2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl)methanone is sourced from PubChem (CID 75469753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).