2-tert-butyl-4-methyl-1,3-thiazol-5-amine

C8H14N2S — CID 62076854

IUPAC2-tert-butyl-4-methyl-1,3-thiazol-5-amine
SMILESCc1nc(C(C)(C)C)sc1N
InChIInChI=1S/C8H14N2S/c1-5-6(9)11-7(10-5)8(2,3)4/h9H2,1-4H3
InChIKeyRUPFWYIZTLZPIY-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.33
Rot. Bonds

About 2-tert-butyl-4-methyl-1,3-thiazol-5-amine

2-tert-butyl-4-methyl-1,3-thiazol-5-amine (PubChem CID 62076854) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-1,3-thiazol-5-amine
PubChem CID62076854
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name2-tert-butyl-4-methyl-1,3-thiazol-5-amine
SMILESCc1nc(C(C)(C)C)sc1N
InChIInChI=1S/C8H14N2S/c1-5-6(9)11-7(10-5)8(2,3)4/h9H2,1-4H3
InChIKeyRUPFWYIZTLZPIY-UHFFFAOYSA-N
XLogP2.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-1,3-thiazol-5-amine?
The IUPAC name of 2-tert-butyl-4-methyl-1,3-thiazol-5-amine (CID 62076854) is 2-tert-butyl-4-methyl-1,3-thiazol-5-amine.
What is the SMILES notation for 2-tert-butyl-4-methyl-1,3-thiazol-5-amine?
The canonical SMILES for 2-tert-butyl-4-methyl-1,3-thiazol-5-amine is Cc1nc(C(C)(C)C)sc1N.
What is the InChIKey of 2-tert-butyl-4-methyl-1,3-thiazol-5-amine?
The InChIKey is RUPFWYIZTLZPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-5-6(9)11-7(10-5)8(2,3)4/h9H2,1-4H3.
What are the key properties of 2-tert-butyl-4-methyl-1,3-thiazol-5-amine?
2-tert-butyl-4-methyl-1,3-thiazol-5-amine has a molecular weight of 170.28 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-1,3-thiazol-5-amine is sourced from PubChem (CID 62076854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).