6,8-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

C24H32N6O2S — CID 53050117

IUPAC6,8-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)NCCN2CCN(C)CC2)c1
InChIInChI=1S/C24H32N6O2S/c1-17-15-18(2)26-23-21(17)30(13-14-33-23)24(32)27-20-6-4-5-19(16-20)22(31)25-7-8-29-11-9-28(3)10-12-29/h4-6,15-16H,7-14H2,1-3H3,(H,25,31)(H,27,32)
InChIKeyQHVDSUGUOUVZIJ-UHFFFAOYSA-N
MW468.63 g/mol
LogP2.82
Rot. Bonds5

About 6,8-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

6,8-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 53050117) has the molecular formula C24H32N6O2S and a molecular weight of 468.63 g/mol. Its IUPAC name is 6,8-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound Name6,8-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID53050117
Molecular FormulaC24H32N6O2S
Molecular Weight468.63 g/mol
Exact Mass468.23
IUPAC Name6,8-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)NCCN2CCN(C)CC2)c1
InChIInChI=1S/C24H32N6O2S/c1-17-15-18(2)26-23-21(17)30(13-14-33-23)24(32)27-20-6-4-5-19(16-20)22(31)25-7-8-29-11-9-28(3)10-12-29/h4-6,15-16H,7-14H2,1-3H3,(H,25,31)(H,27,32)
InChIKeyQHVDSUGUOUVZIJ-UHFFFAOYSA-N
XLogP2.82
TPSA80.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.63
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6,8-dimethyl-N-[3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050110
N-[3-[2-(azepan-1-yl)ethylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050113
6,8-dimethyl-N-[3-(propylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050076
N-[3-[(3,4-dimethylphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050080
N-[3-[2-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050121
6,8-dimethyl-N-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050134
N-[3-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050060
6,8-dimethyl-N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921179
N-[4-[(3-fluorophenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 46279635
6,8-dimethyl-N-[4-[3-(N-methylanilino)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 46279651
5-methyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46329893
N-(2-chlorophenyl)-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53032649

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The IUPAC name of 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) is 6,8-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.
What is the SMILES notation for 6,8-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The canonical SMILES for 6,8-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)NCCN2CCN(C)CC2)c1.
What is the InChIKey of 6,8-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The InChIKey is QHVDSUGUOUVZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2S/c1-17-15-18(2)26-23-21(17)30(13-14-33-23)24(32)27-20-6-4-5-19(16-20)22(31)25-7-8-29-11-9-28(3)10-12-29/h4-6,15-16H,7-14H2,1-3H3,(H,25,31)(H,27,32).
What are the key properties of 6,8-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
6,8-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 468.63 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 53050117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).