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

C10H18N4S — CID 82424916

IUPAC2-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(CCN(CC)CC)s1
InChIInChI=1S/C10H18N4S/c1-3-14(4-2)6-5-9-13-7-8(15-9)10(11)12/h7H,3-6H2,1-2H3,(H3,11,12)
InChIKeyZNGIQISKFFPGMO-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.31
Rot. Bonds6

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

2-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboximidamide (PubChem CID 82424916) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboximidamide
PubChem CID82424916
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name2-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(CCN(CC)CC)s1
InChIInChI=1S/C10H18N4S/c1-3-14(4-2)6-5-9-13-7-8(15-9)10(11)12/h7H,3-6H2,1-2H3,(H3,11,12)
InChIKeyZNGIQISKFFPGMO-UHFFFAOYSA-N
XLogP1.31
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.31
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]-1,3-thiazole-5-carboximidamide?
The IUPAC name of 2-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboximidamide (CID 82424916) is 2-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1cnc(CCN(CC)CC)s1.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboximidamide?
The InChIKey is ZNGIQISKFFPGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-3-14(4-2)6-5-9-13-7-8(15-9)10(11)12/h7H,3-6H2,1-2H3,(H3,11,12).
What are the key properties of 2-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboximidamide?
2-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboximidamide has a molecular weight of 226.35 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82424916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).