5-(methylamino)-N-[3-(1-oxo-6,7-dihydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]pentanamide;hydrochloride

C18H24ClN5O2S — CID 66966010

IUPAC5-(methylamino)-N-[3-(1-oxo-6,7-dihydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]pentanamide;hydrochloride
SMILESCNCCCCC(=O)Nc1cccc(C2=NNC(=O)C3=CSCCN32)c1.Cl
InChIInChI=1S/C18H23N5O2S.ClH/c1-19-8-3-2-7-16(24)20-14-6-4-5-13(11-14)17-21-22-18(25)15-12-26-10-9-23(15)17;/h4-6,11-12,19H,2-3,7-10H2,1H3,(H,20,24)(H,22,25);1H
InChIKeyXRIQZPINVLDCND-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.12
Rot. Bonds7

About 5-(methylamino)-N-[3-(1-oxo-6,7-dihydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]pentanamide;hydrochloride

5-(methylamino)-N-[3-(1-oxo-6,7-dihydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]pentanamide;hydrochloride (PubChem CID 66966010) has the molecular formula C18H24ClN5O2S and a molecular weight of 409.94 g/mol. Its IUPAC name is 5-(methylamino)-N-[3-(1-oxo-6,7-dihydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name5-(methylamino)-N-[3-(1-oxo-6,7-dihydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]pentanamide;hydrochloride
PubChem CID66966010
Molecular FormulaC18H24ClN5O2S
Molecular Weight409.94 g/mol
Exact Mass409.13
IUPAC Name5-(methylamino)-N-[3-(1-oxo-6,7-dihydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]pentanamide;hydrochloride
SMILESCNCCCCC(=O)Nc1cccc(C2=NNC(=O)C3=CSCCN32)c1.Cl
InChIInChI=1S/C18H23N5O2S.ClH/c1-19-8-3-2-7-16(24)20-14-6-4-5-13(11-14)17-21-22-18(25)15-12-26-10-9-23(15)17;/h4-6,11-12,19H,2-3,7-10H2,1H3,(H,20,24)(H,22,25);1H
InChIKeyXRIQZPINVLDCND-UHFFFAOYSA-N
XLogP2.12
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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methanesulfonic acid;4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide
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N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-thiomorpholin-4-ylpentanamide
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4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 54862533
4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide
CID 87217742

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-[3-(1-oxo-6,7-dihydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]pentanamide;hydrochloride?
The IUPAC name of 5-(methylamino)-N-[3-(1-oxo-6,7-dihydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]pentanamide;hydrochloride (CID 66966010) is 5-(methylamino)-N-[3-(1-oxo-6,7-dihydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 5-(methylamino)-N-[3-(1-oxo-6,7-dihydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 5-(methylamino)-N-[3-(1-oxo-6,7-dihydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]pentanamide;hydrochloride is CNCCCCC(=O)Nc1cccc(C2=NNC(=O)C3=CSCCN32)c1.Cl.
What is the InChIKey of 5-(methylamino)-N-[3-(1-oxo-6,7-dihydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]pentanamide;hydrochloride?
The InChIKey is XRIQZPINVLDCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S.ClH/c1-19-8-3-2-7-16(24)20-14-6-4-5-13(11-14)17-21-22-18(25)15-12-26-10-9-23(15)17;/h4-6,11-12,19H,2-3,7-10H2,1H3,(H,20,24)(H,22,25);1H.
What are the key properties of 5-(methylamino)-N-[3-(1-oxo-6,7-dihydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]pentanamide;hydrochloride?
5-(methylamino)-N-[3-(1-oxo-6,7-dihydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]pentanamide;hydrochloride has a molecular weight of 409.94 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-[3-(1-oxo-6,7-dihydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 66966010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).