2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide

C9H16N4S — CID 82427595

IUPAC2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CCN(C)C)nc1C
InChIInChI=1S/C9H16N4S/c1-6-8(9(10)11)14-7(12-6)4-5-13(2)3/h4-5H2,1-3H3,(H3,10,11)
InChIKeyMIJLOMNJBZYLCL-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.84
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide

2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide (PubChem CID 82427595) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide
PubChem CID82427595
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CCN(C)C)nc1C
InChIInChI=1S/C9H16N4S/c1-6-8(9(10)11)14-7(12-6)4-5-13(2)3/h4-5H2,1-3H3,(H3,10,11)
InChIKeyMIJLOMNJBZYLCL-UHFFFAOYSA-N
XLogP0.84
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.84
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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Related Compounds

2-amino-4-methyl-1,3-thiazole-5-carboximidamide
CID 158488916
2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide
CID 82433107
4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-5-carboximidamide
CID 82427514
2-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide
CID 82426922
4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide
CID 82428484
2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide
CID 82425721
2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazole-5-carboximidamide
CID 82426484
2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82193761
4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide
CID 82440152
2-[2-[2-(dimethylamino)ethylamino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82120808
1-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 115346935
2-[2-(dipropylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39161161

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide (CID 82427595) is 2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(CCN(C)C)nc1C.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide?
The InChIKey is MIJLOMNJBZYLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-6-8(9(10)11)14-7(12-6)4-5-13(2)3/h4-5H2,1-3H3,(H3,10,11).
What are the key properties of 2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide?
2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide has a molecular weight of 212.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82427595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).