N-[3-(dimethylamino)propyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide

C15H22N4O2S — CID 53148515

IUPACN-[3-(dimethylamino)propyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
SMILESCN(C)CCCNC(=O)CC1Sc2ncccc2N(C)C1=O
InChIInChI=1S/C15H22N4O2S/c1-18(2)9-5-8-16-13(20)10-12-15(21)19(3)11-6-4-7-17-14(11)22-12/h4,6-7,12H,5,8-10H2,1-3H3,(H,16,20)
InChIKeyZCMOQBMRORJQRX-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.98
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide

N-[3-(dimethylamino)propyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide (PubChem CID 53148515) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
PubChem CID53148515
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-[3-(dimethylamino)propyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
SMILESCN(C)CCCNC(=O)CC1Sc2ncccc2N(C)C1=O
InChIInChI=1S/C15H22N4O2S/c1-18(2)9-5-8-16-13(20)10-12-15(21)19(3)11-6-4-7-17-14(11)22-12/h4,6-7,12H,5,8-10H2,1-3H3,(H,16,20)
InChIKeyZCMOQBMRORJQRX-UHFFFAOYSA-N
XLogP0.98
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide (CID 53148515) is N-[3-(dimethylamino)propyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide is CN(C)CCCNC(=O)CC1Sc2ncccc2N(C)C1=O.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
The InChIKey is ZCMOQBMRORJQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-18(2)9-5-8-16-13(20)10-12-15(21)19(3)11-6-4-7-17-14(11)22-12/h4,6-7,12H,5,8-10H2,1-3H3,(H,16,20).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
N-[3-(dimethylamino)propyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide has a molecular weight of 322.43 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide is sourced from PubChem (CID 53148515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).