N,N-dimethyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide

C10H19N3OS — CID 65036249

IUPACN,N-dimethyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide
SMILESCC1CN=C(NCCC(=O)N(C)C)SC1
InChIInChI=1S/C10H19N3OS/c1-8-6-12-10(15-7-8)11-5-4-9(14)13(2)3/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyKMQDDIUXDKNTLY-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.79
Rot. Bonds3

About N,N-dimethyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide

N,N-dimethyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide (PubChem CID 65036249) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is N,N-dimethyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide
PubChem CID65036249
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC NameN,N-dimethyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide
SMILESCC1CN=C(NCCC(=O)N(C)C)SC1
InChIInChI=1S/C10H19N3OS/c1-8-6-12-10(15-7-8)11-5-4-9(14)13(2)3/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyKMQDDIUXDKNTLY-UHFFFAOYSA-N
XLogP0.79
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide (CID 65036249) is N,N-dimethyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide is CC1CN=C(NCCC(=O)N(C)C)SC1.
What is the InChIKey of N,N-dimethyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide?
The InChIKey is KMQDDIUXDKNTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-8-6-12-10(15-7-8)11-5-4-9(14)13(2)3/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of N,N-dimethyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide?
N,N-dimethyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide has a molecular weight of 229.35 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide is sourced from PubChem (CID 65036249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).