2-ethyl-N-methyl-N-propanimidoyl-1,3-thiazole-4-carboximidamide

C10H16N4S — CID 123809860

IUPAC2-ethyl-N-methyl-N-propanimidoyl-1,3-thiazole-4-carboximidamide
SMILES[H]/N=C(/c1csc(CC)n1)N(C)/C(CC)=N/[H]
InChIInChI=1S/C10H16N4S/c1-4-8(11)14(3)10(12)7-6-15-9(5-2)13-7/h6,11-12H,4-5H2,1-3H3/b11-8+,12-10-
InChIKeyNIWBQKRGKRHKPL-GWPDKMJPSA-N
MW224.33 g/mol
LogP2.35
Rot. Bonds3

About 2-ethyl-N-methyl-N-propanimidoyl-1,3-thiazole-4-carboximidamide

2-ethyl-N-methyl-N-propanimidoyl-1,3-thiazole-4-carboximidamide (PubChem CID 123809860) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-propanimidoyl-1,3-thiazole-4-carboximidamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-propanimidoyl-1,3-thiazole-4-carboximidamide
PubChem CID123809860
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name2-ethyl-N-methyl-N-propanimidoyl-1,3-thiazole-4-carboximidamide
SMILES[H]/N=C(/c1csc(CC)n1)N(C)/C(CC)=N/[H]
InChIInChI=1S/C10H16N4S/c1-4-8(11)14(3)10(12)7-6-15-9(5-2)13-7/h6,11-12H,4-5H2,1-3H3/b11-8+,12-10-
InChIKeyNIWBQKRGKRHKPL-GWPDKMJPSA-N
XLogP2.35
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethyl-N-methyl-N-propanimidoyl-1,3-thiazole-4-carboximidamide?
The IUPAC name of 2-ethyl-N-methyl-N-propanimidoyl-1,3-thiazole-4-carboximidamide (CID 123809860) is 2-ethyl-N-methyl-N-propanimidoyl-1,3-thiazole-4-carboximidamide.
What is the SMILES notation for 2-ethyl-N-methyl-N-propanimidoyl-1,3-thiazole-4-carboximidamide?
The canonical SMILES for 2-ethyl-N-methyl-N-propanimidoyl-1,3-thiazole-4-carboximidamide is [H]/N=C(/c1csc(CC)n1)N(C)/C(CC)=N/[H].
What is the InChIKey of 2-ethyl-N-methyl-N-propanimidoyl-1,3-thiazole-4-carboximidamide?
The InChIKey is NIWBQKRGKRHKPL-GWPDKMJPSA-N. The full InChI is InChI=1S/C10H16N4S/c1-4-8(11)14(3)10(12)7-6-15-9(5-2)13-7/h6,11-12H,4-5H2,1-3H3/b11-8+,12-10-.
What are the key properties of 2-ethyl-N-methyl-N-propanimidoyl-1,3-thiazole-4-carboximidamide?
2-ethyl-N-methyl-N-propanimidoyl-1,3-thiazole-4-carboximidamide has a molecular weight of 224.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-propanimidoyl-1,3-thiazole-4-carboximidamide is sourced from PubChem (CID 123809860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).