4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboximidamide

C13H24N4S — CID 82439378

IUPAC4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CN(CC)CC)nc1C(C)(C)C
InChIInChI=1S/C13H24N4S/c1-6-17(7-2)8-9-16-11(13(3,4)5)10(18-9)12(14)15/h6-8H2,1-5H3,(H3,14,15)
InChIKeyTZQJVZOATREMEM-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.57
Rot. Bonds5

About 4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboximidamide

4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboximidamide (PubChem CID 82439378) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboximidamide
PubChem CID82439378
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CN(CC)CC)nc1C(C)(C)C
InChIInChI=1S/C13H24N4S/c1-6-17(7-2)8-9-16-11(13(3,4)5)10(18-9)12(14)15/h6-8H2,1-5H3,(H3,14,15)
InChIKeyTZQJVZOATREMEM-UHFFFAOYSA-N
XLogP2.57
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.57
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

4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboxylic acid
CID 82227339
4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carboximidamide
CID 82439613
2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide
CID 82433107
2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82429557
2-(diethylaminomethyl)-4-methyl-1,3-thiazole-5-carbothioamide
CID 82427411
4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazole-5-carbohydrazide
CID 82439369
2-(diethylaminomethyl)-4-propan-2-yl-1,3-thiazole-5-carbothioamide
CID 82435210
4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide
CID 82428484
2-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboximidamide
CID 82424916
5-tert-butyl-1,3,4-thiadiazole-2-carboximidamide;hydrochloride
CID 141354172
2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide
CID 82427595
3-tert-butyl-1-ethylpyrazole-4-carboximidamide
CID 83879057

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboximidamide?
The IUPAC name of 4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboximidamide (CID 82439378) is 4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(CN(CC)CC)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboximidamide?
The InChIKey is TZQJVZOATREMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-6-17(7-2)8-9-16-11(13(3,4)5)10(18-9)12(14)15/h6-8H2,1-5H3,(H3,14,15).
What are the key properties of 4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboximidamide?
4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboximidamide has a molecular weight of 268.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82439378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).