3-tert-butyl-1,3-thiazolidin-5-amine

C7H16N2S — CID 69431841

IUPAC3-tert-butyl-1,3-thiazolidin-5-amine
SMILESCC(C)(C)N1CSC(N)C1
InChIInChI=1S/C7H16N2S/c1-7(2,3)9-4-6(8)10-5-9/h6H,4-5,8H2,1-3H3
InChIKeyABGHTGKWZJQMJK-UHFFFAOYSA-N
MW160.29 g/mol
LogP1.08
Rot. Bonds

About 3-tert-butyl-1,3-thiazolidin-5-amine

3-tert-butyl-1,3-thiazolidin-5-amine (PubChem CID 69431841) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is 3-tert-butyl-1,3-thiazolidin-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1,3-thiazolidin-5-amine
PubChem CID69431841
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name3-tert-butyl-1,3-thiazolidin-5-amine
SMILESCC(C)(C)N1CSC(N)C1
InChIInChI=1S/C7H16N2S/c1-7(2,3)9-4-6(8)10-5-9/h6H,4-5,8H2,1-3H3
InChIKeyABGHTGKWZJQMJK-UHFFFAOYSA-N
XLogP1.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,3-thiazolidin-5-amine?
The IUPAC name of 3-tert-butyl-1,3-thiazolidin-5-amine (CID 69431841) is 3-tert-butyl-1,3-thiazolidin-5-amine.
What is the SMILES notation for 3-tert-butyl-1,3-thiazolidin-5-amine?
The canonical SMILES for 3-tert-butyl-1,3-thiazolidin-5-amine is CC(C)(C)N1CSC(N)C1.
What is the InChIKey of 3-tert-butyl-1,3-thiazolidin-5-amine?
The InChIKey is ABGHTGKWZJQMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-7(2,3)9-4-6(8)10-5-9/h6H,4-5,8H2,1-3H3.
What are the key properties of 3-tert-butyl-1,3-thiazolidin-5-amine?
3-tert-butyl-1,3-thiazolidin-5-amine has a molecular weight of 160.29 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,3-thiazolidin-5-amine is sourced from PubChem (CID 69431841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).