2-(4-tert-butyl-1,3-thiazol-2-yl)guanidine

C8H14N4S — CID 2805123

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)guanidine
SMILESCC(C)(C)c1csc(N=C(N)N)n1
InChIInChI=1S/C8H14N4S/c1-8(2,3)5-4-13-7(11-5)12-6(9)10/h4H,1-3H3,(H4,9,10,11,12)
InChIKeyMUDFRCMSPCXFMH-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.35
Rot. Bonds1

About 2-(4-tert-butyl-1,3-thiazol-2-yl)guanidine

2-(4-tert-butyl-1,3-thiazol-2-yl)guanidine (PubChem CID 2805123) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)guanidine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)guanidine
PubChem CID2805123
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)guanidine
SMILESCC(C)(C)c1csc(N=C(N)N)n1
InChIInChI=1S/C8H14N4S/c1-8(2,3)5-4-13-7(11-5)12-6(9)10/h4H,1-3H3,(H4,9,10,11,12)
InChIKeyMUDFRCMSPCXFMH-UHFFFAOYSA-N
XLogP1.35
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.35
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)guanidine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)guanidine (CID 2805123) is 2-(4-tert-butyl-1,3-thiazol-2-yl)guanidine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)guanidine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)guanidine is CC(C)(C)c1csc(N=C(N)N)n1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)guanidine?
The InChIKey is MUDFRCMSPCXFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-8(2,3)5-4-13-7(11-5)12-6(9)10/h4H,1-3H3,(H4,9,10,11,12).
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)guanidine?
2-(4-tert-butyl-1,3-thiazol-2-yl)guanidine has a molecular weight of 198.29 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)guanidine is sourced from PubChem (CID 2805123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).