2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide

C13H24N4S — CID 82433107

IUPAC2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CCN(CC)CC)nc1CCC
InChIInChI=1S/C13H24N4S/c1-4-7-10-12(13(14)15)18-11(16-10)8-9-17(5-2)6-3/h4-9H2,1-3H3,(H3,14,15)
InChIKeyUQNHIJCKHXHCLT-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.26
Rot. Bonds8

About 2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide

2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide (PubChem CID 82433107) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide
PubChem CID82433107
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CCN(CC)CC)nc1CCC
InChIInChI=1S/C13H24N4S/c1-4-7-10-12(13(14)15)18-11(16-10)8-9-17(5-2)6-3/h4-9H2,1-3H3,(H3,14,15)
InChIKeyUQNHIJCKHXHCLT-UHFFFAOYSA-N
XLogP2.26
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.26
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-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide?
The IUPAC name of 2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide (CID 82433107) is 2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(CCN(CC)CC)nc1CCC.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide?
The InChIKey is UQNHIJCKHXHCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-4-7-10-12(13(14)15)18-11(16-10)8-9-17(5-2)6-3/h4-9H2,1-3H3,(H3,14,15).
What are the key properties of 2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide?
2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide has a molecular weight of 268.43 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82433107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).