3-amino-5-[2-(2-methylpropoxy)ethylamino]-1,2-thiazole-4-carbonitrile

C10H16N4OS — CID 103384556

IUPAC3-amino-5-[2-(2-methylpropoxy)ethylamino]-1,2-thiazole-4-carbonitrile
SMILESCC(C)COCCNc1snc(N)c1C#N
InChIInChI=1S/C10H16N4OS/c1-7(2)6-15-4-3-13-10-8(5-11)9(12)14-16-10/h7,13H,3-4,6H2,1-2H3,(H2,12,14)
InChIKeyWGHGISDLGWQLIA-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.68
Rot. Bonds6

About 3-amino-5-[2-(2-methylpropoxy)ethylamino]-1,2-thiazole-4-carbonitrile

3-amino-5-[2-(2-methylpropoxy)ethylamino]-1,2-thiazole-4-carbonitrile (PubChem CID 103384556) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-amino-5-[2-(2-methylpropoxy)ethylamino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[2-(2-methylpropoxy)ethylamino]-1,2-thiazole-4-carbonitrile
PubChem CID103384556
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name3-amino-5-[2-(2-methylpropoxy)ethylamino]-1,2-thiazole-4-carbonitrile
SMILESCC(C)COCCNc1snc(N)c1C#N
InChIInChI=1S/C10H16N4OS/c1-7(2)6-15-4-3-13-10-8(5-11)9(12)14-16-10/h7,13H,3-4,6H2,1-2H3,(H2,12,14)
InChIKeyWGHGISDLGWQLIA-UHFFFAOYSA-N
XLogP1.68
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-amino-5-[2-(2-methylpropoxy)ethylamino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[2-(2-methylpropoxy)ethylamino]-1,2-thiazole-4-carbonitrile (CID 103384556) is 3-amino-5-[2-(2-methylpropoxy)ethylamino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[2-(2-methylpropoxy)ethylamino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[2-(2-methylpropoxy)ethylamino]-1,2-thiazole-4-carbonitrile is CC(C)COCCNc1snc(N)c1C#N.
What is the InChIKey of 3-amino-5-[2-(2-methylpropoxy)ethylamino]-1,2-thiazole-4-carbonitrile?
The InChIKey is WGHGISDLGWQLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-7(2)6-15-4-3-13-10-8(5-11)9(12)14-16-10/h7,13H,3-4,6H2,1-2H3,(H2,12,14).
What are the key properties of 3-amino-5-[2-(2-methylpropoxy)ethylamino]-1,2-thiazole-4-carbonitrile?
3-amino-5-[2-(2-methylpropoxy)ethylamino]-1,2-thiazole-4-carbonitrile has a molecular weight of 240.33 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(2-methylpropoxy)ethylamino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103384556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).