(2S)-2-[5-[[acetyl(methyl)amino]methyl]-3,6-dihydro-2H-pyridin-1-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide

C15H24N4O2S — CID 95128926

IUPAC(2S)-2-[5-[[acetyl(methyl)amino]methyl]-3,6-dihydro-2H-pyridin-1-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)N(C)CC1=CCCN([C@@H](C)C(=O)NC2=NCCS2)C1
InChIInChI=1S/C15H24N4O2S/c1-11(14(21)17-15-16-6-8-22-15)19-7-4-5-13(10-19)9-18(3)12(2)20/h5,11H,4,6-10H2,1-3H3,(H,16,17,21)/t11-/m0/s1
InChIKeySDUUFBHJXITROS-NSHDSACASA-N
MW324.45 g/mol
LogP0.70
Rot. Bonds4

About (2S)-2-[5-[[acetyl(methyl)amino]methyl]-3,6-dihydro-2H-pyridin-1-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide

(2S)-2-[5-[[acetyl(methyl)amino]methyl]-3,6-dihydro-2H-pyridin-1-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide (PubChem CID 95128926) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is (2S)-2-[5-[[acetyl(methyl)amino]methyl]-3,6-dihydro-2H-pyridin-1-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[5-[[acetyl(methyl)amino]methyl]-3,6-dihydro-2H-pyridin-1-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
PubChem CID95128926
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name(2S)-2-[5-[[acetyl(methyl)amino]methyl]-3,6-dihydro-2H-pyridin-1-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)N(C)CC1=CCCN([C@@H](C)C(=O)NC2=NCCS2)C1
InChIInChI=1S/C15H24N4O2S/c1-11(14(21)17-15-16-6-8-22-15)19-7-4-5-13(10-19)9-18(3)12(2)20/h5,11H,4,6-10H2,1-3H3,(H,16,17,21)/t11-/m0/s1
InChIKeySDUUFBHJXITROS-NSHDSACASA-N
XLogP0.70
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-[[acetyl(methyl)amino]methyl]-3,6-dihydro-2H-pyridin-1-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[5-[[acetyl(methyl)amino]methyl]-3,6-dihydro-2H-pyridin-1-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide (CID 95128926) is (2S)-2-[5-[[acetyl(methyl)amino]methyl]-3,6-dihydro-2H-pyridin-1-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[5-[[acetyl(methyl)amino]methyl]-3,6-dihydro-2H-pyridin-1-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[5-[[acetyl(methyl)amino]methyl]-3,6-dihydro-2H-pyridin-1-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide is CC(=O)N(C)CC1=CCCN([C@@H](C)C(=O)NC2=NCCS2)C1.
What is the InChIKey of (2S)-2-[5-[[acetyl(methyl)amino]methyl]-3,6-dihydro-2H-pyridin-1-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The InChIKey is SDUUFBHJXITROS-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-11(14(21)17-15-16-6-8-22-15)19-7-4-5-13(10-19)9-18(3)12(2)20/h5,11H,4,6-10H2,1-3H3,(H,16,17,21)/t11-/m0/s1.
What are the key properties of (2S)-2-[5-[[acetyl(methyl)amino]methyl]-3,6-dihydro-2H-pyridin-1-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
(2S)-2-[5-[[acetyl(methyl)amino]methyl]-3,6-dihydro-2H-pyridin-1-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide has a molecular weight of 324.45 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-[[acetyl(methyl)amino]methyl]-3,6-dihydro-2H-pyridin-1-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 95128926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).