2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide

C10H17N3S — CID 82429557

IUPAC2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(C(C)(C)C)nc1CC
InChIInChI=1S/C10H17N3S/c1-5-6-7(8(11)12)14-9(13-6)10(2,3)4/h5H2,1-4H3,(H3,11,12)
InChIKeyHWTBKQAOTINQRJ-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.29
Rot. Bonds2

About 2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide

2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide (PubChem CID 82429557) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide
PubChem CID82429557
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(C(C)(C)C)nc1CC
InChIInChI=1S/C10H17N3S/c1-5-6-7(8(11)12)14-9(13-6)10(2,3)4/h5H2,1-4H3,(H3,11,12)
InChIKeyHWTBKQAOTINQRJ-UHFFFAOYSA-N
XLogP2.29
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethyl-2-propyl-1,3-thiazole-5-carboximidamide
CID 82428484
2-(azepan-1-yl)-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82431120
5-tert-butyl-1,3,4-thiadiazole-2-carboximidamide;hydrochloride
CID 141354172
4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboximidamide
CID 82439378
2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82430088
ethyl 2-tert-butyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
CID 69475996
4-ethyl-2-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carboximidamide
CID 82428295
4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide
CID 82429750
2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82429808
4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carboximidamide
CID 82439613
4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide
CID 82440152
4-(2-aminoethyl)-2-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 96601787

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide?
The IUPAC name of 2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide (CID 82429557) is 2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(C(C)(C)C)nc1CC.
What is the InChIKey of 2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide?
The InChIKey is HWTBKQAOTINQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-5-6-7(8(11)12)14-9(13-6)10(2,3)4/h5H2,1-4H3,(H3,11,12).
What are the key properties of 2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide?
2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide has a molecular weight of 211.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82429557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).