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

C16H16ClN3OS — CID 53032649

IUPACN-(2-chlorophenyl)-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H16ClN3OS/c1-10-9-11(2)18-15-14(10)20(7-8-22-15)16(21)19-13-6-4-3-5-12(13)17/h3-6,9H,7-8H2,1-2H3,(H,19,21)
InChIKeyYQOWDYRCDQDGCL-UHFFFAOYSA-N
MW333.84 g/mol
LogP4.50
Rot. Bonds1

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

N-(2-chlorophenyl)-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 53032649) has the molecular formula C16H16ClN3OS and a molecular weight of 333.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID53032649
Molecular FormulaC16H16ClN3OS
Molecular Weight333.84 g/mol
Exact Mass333.07
IUPAC NameN-(2-chlorophenyl)-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H16ClN3OS/c1-10-9-11(2)18-15-14(10)20(7-8-22-15)16(21)19-13-6-4-3-5-12(13)17/h3-6,9H,7-8H2,1-2H3,(H,19,21)
InChIKeyYQOWDYRCDQDGCL-UHFFFAOYSA-N
XLogP4.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53049977
6,8-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53003742
6,8-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050117
N-(3-chloro-2-methylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 46279520
N-(2-chlorophenyl)-4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 50947814
N-(2-chlorophenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224329
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324279
N-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20920690
N-(2-chlorophenyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 112848065
6-amino-N-(2-chlorophenyl)-2,3-dihydroindole-1-carboxamide
CID 43544036
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 53032649) is N-(2-chlorophenyl)-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The InChIKey is YQOWDYRCDQDGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3OS/c1-10-9-11(2)18-15-14(10)20(7-8-22-15)16(21)19-13-6-4-3-5-12(13)17/h3-6,9H,7-8H2,1-2H3,(H,19,21).
What are the key properties of N-(2-chlorophenyl)-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
N-(2-chlorophenyl)-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 333.84 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 53032649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).