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

C10H18N4S — CID 82439613

IUPAC4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(N(C)C)nc1C(C)(C)C
InChIInChI=1S/C10H18N4S/c1-10(2,3)7-6(8(11)12)15-9(13-7)14(4)5/h1-5H3,(H3,11,12)
InChIKeyWTBWAKDWCNLLIY-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.79
Rot. Bonds2

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

4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carboximidamide (PubChem CID 82439613) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carboximidamide
PubChem CID82439613
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(N(C)C)nc1C(C)(C)C
InChIInChI=1S/C10H18N4S/c1-10(2,3)7-6(8(11)12)15-9(13-7)14(4)5/h1-5H3,(H3,11,12)
InChIKeyWTBWAKDWCNLLIY-UHFFFAOYSA-N
XLogP1.79
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.79
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 4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carboximidamide?
The IUPAC name of 4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carboximidamide (CID 82439613) is 4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(N(C)C)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carboximidamide?
The InChIKey is WTBWAKDWCNLLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-10(2,3)7-6(8(11)12)15-9(13-7)14(4)5/h1-5H3,(H3,11,12).
What are the key properties of 4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carboximidamide?
4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carboximidamide has a molecular weight of 226.35 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82439613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).