[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C13H20N4OS — CID 106317405

IUPAC[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCCCNc1nc(N)c(C(=O)N2CCC=C(C)C2)s1
InChIInChI=1S/C13H20N4OS/c1-3-6-15-13-16-11(14)10(19-13)12(18)17-7-4-5-9(2)8-17/h5H,3-4,6-8,14H2,1-2H3,(H,15,16)
InChIKeyMDRHCRZJIZQMHK-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.34
Rot. Bonds4

About [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 106317405) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID106317405
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCCCNc1nc(N)c(C(=O)N2CCC=C(C)C2)s1
InChIInChI=1S/C13H20N4OS/c1-3-6-15-13-16-11(14)10(19-13)12(18)17-7-4-5-9(2)8-17/h5H,3-4,6-8,14H2,1-2H3,(H,15,16)
InChIKeyMDRHCRZJIZQMHK-UHFFFAOYSA-N
XLogP2.34
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
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 [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 106317405) is [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CCCNc1nc(N)c(C(=O)N2CCC=C(C)C2)s1.
What is the InChIKey of [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is MDRHCRZJIZQMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-3-6-15-13-16-11(14)10(19-13)12(18)17-7-4-5-9(2)8-17/h5H,3-4,6-8,14H2,1-2H3,(H,15,16).
What are the key properties of [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 280.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 106317405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).