4-tert-butyl-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine

C12H15N3S2 — CID 2798939

IUPAC4-tert-butyl-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(NN=Cc2cccs2)n1
InChIInChI=1S/C12H15N3S2/c1-12(2,3)10-8-17-11(14-10)15-13-7-9-5-4-6-16-9/h4-8H,1-3H3,(H,14,15)
InChIKeyVGZRHDSAHNXYMZ-UHFFFAOYSA-N
MW265.41 g/mol
LogP3.95
Rot. Bonds3

About 4-tert-butyl-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine

4-tert-butyl-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine (PubChem CID 2798939) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is 4-tert-butyl-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine
PubChem CID2798939
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC Name4-tert-butyl-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(NN=Cc2cccs2)n1
InChIInChI=1S/C12H15N3S2/c1-12(2,3)10-8-17-11(14-10)15-13-7-9-5-4-6-16-9/h4-8H,1-3H3,(H,14,15)
InChIKeyVGZRHDSAHNXYMZ-UHFFFAOYSA-N
XLogP3.95
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine (CID 2798939) is 4-tert-butyl-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine is CC(C)(C)c1csc(NN=Cc2cccs2)n1.
What is the InChIKey of 4-tert-butyl-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine?
The InChIKey is VGZRHDSAHNXYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-12(2,3)10-8-17-11(14-10)15-13-7-9-5-4-6-16-9/h4-8H,1-3H3,(H,14,15).
What are the key properties of 4-tert-butyl-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine?
4-tert-butyl-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine has a molecular weight of 265.41 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine is sourced from PubChem (CID 2798939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).