N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

C19H21ClN4O2S — CID 53049977

IUPACN-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCc1cc(C)c2c(n1)SCCN2C(=O)NCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H21ClN4O2S/c1-12-9-13(2)23-18-17(12)24(7-8-27-18)19(26)22-11-16(25)21-10-14-5-3-4-6-15(14)20/h3-6,9H,7-8,10-11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyPTKNNRSSSUFVCJ-UHFFFAOYSA-N
MW404.92 g/mol
LogP3.29
Rot. Bonds4

About N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 53049977) has the molecular formula C19H21ClN4O2S and a molecular weight of 404.92 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID53049977
Molecular FormulaC19H21ClN4O2S
Molecular Weight404.92 g/mol
Exact Mass404.11
IUPAC NameN-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCc1cc(C)c2c(n1)SCCN2C(=O)NCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H21ClN4O2S/c1-12-9-13(2)23-18-17(12)24(7-8-27-18)19(26)22-11-16(25)21-10-14-5-3-4-6-15(14)20/h3-6,9H,7-8,10-11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyPTKNNRSSSUFVCJ-UHFFFAOYSA-N
XLogP3.29
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 53049977) is N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is Cc1cc(C)c2c(n1)SCCN2C(=O)NCC(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The InChIKey is PTKNNRSSSUFVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2S/c1-12-9-13(2)23-18-17(12)24(7-8-27-18)19(26)22-11-16(25)21-10-14-5-3-4-6-15(14)20/h3-6,9H,7-8,10-11H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 404.92 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 53049977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).