2-methylpropanimidoyl 2-ethyl-1,3-thiazole-5-carboximidate

C10H15N3OS — CID 156525965

IUPAC2-methylpropanimidoyl 2-ethyl-1,3-thiazole-5-carboximidate
SMILES[H]/N=C(\O/C(=N/[H])C(C)C)c1cnc(CC)s1
InChIInChI=1S/C10H15N3OS/c1-4-8-13-5-7(15-8)10(12)14-9(11)6(2)3/h5-6,11-12H,4H2,1-3H3/b11-9+,12-10-
InChIKeyOYUDCAIYFRPFHA-IXIPZQGVSA-N
MW225.32 g/mol
LogP2.68
Rot. Bonds3

About 2-methylpropanimidoyl 2-ethyl-1,3-thiazole-5-carboximidate

2-methylpropanimidoyl 2-ethyl-1,3-thiazole-5-carboximidate (PubChem CID 156525965) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-methylpropanimidoyl 2-ethyl-1,3-thiazole-5-carboximidate.

Molecular Properties

Compound Name2-methylpropanimidoyl 2-ethyl-1,3-thiazole-5-carboximidate
PubChem CID156525965
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-methylpropanimidoyl 2-ethyl-1,3-thiazole-5-carboximidate
SMILES[H]/N=C(\O/C(=N/[H])C(C)C)c1cnc(CC)s1
InChIInChI=1S/C10H15N3OS/c1-4-8-13-5-7(15-8)10(12)14-9(11)6(2)3/h5-6,11-12H,4H2,1-3H3/b11-9+,12-10-
InChIKeyOYUDCAIYFRPFHA-IXIPZQGVSA-N
XLogP2.68
TPSA69.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropanimidoyl 2-ethyl-1,3-thiazole-5-carboximidate?
The IUPAC name of 2-methylpropanimidoyl 2-ethyl-1,3-thiazole-5-carboximidate (CID 156525965) is 2-methylpropanimidoyl 2-ethyl-1,3-thiazole-5-carboximidate.
What is the SMILES notation for 2-methylpropanimidoyl 2-ethyl-1,3-thiazole-5-carboximidate?
The canonical SMILES for 2-methylpropanimidoyl 2-ethyl-1,3-thiazole-5-carboximidate is [H]/N=C(\O/C(=N/[H])C(C)C)c1cnc(CC)s1.
What is the InChIKey of 2-methylpropanimidoyl 2-ethyl-1,3-thiazole-5-carboximidate?
The InChIKey is OYUDCAIYFRPFHA-IXIPZQGVSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-4-8-13-5-7(15-8)10(12)14-9(11)6(2)3/h5-6,11-12H,4H2,1-3H3/b11-9+,12-10-.
What are the key properties of 2-methylpropanimidoyl 2-ethyl-1,3-thiazole-5-carboximidate?
2-methylpropanimidoyl 2-ethyl-1,3-thiazole-5-carboximidate has a molecular weight of 225.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanimidoyl 2-ethyl-1,3-thiazole-5-carboximidate is sourced from PubChem (CID 156525965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).