1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclobutan-1-amine

C14H24N2S — CID 103563879

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclobutan-1-amine
SMILESCC(C)C1CC(N)(c2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C14H24N2S/c1-9(2)10-6-14(15,7-10)12-16-11(8-17-12)13(3,4)5/h8-10H,6-7,15H2,1-5H3
InChIKeyUWUVZMOLUJPEFS-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.66
Rot. Bonds2

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclobutan-1-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103563879) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclobutan-1-amine
PubChem CID103563879
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclobutan-1-amine
SMILESCC(C)C1CC(N)(c2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C14H24N2S/c1-9(2)10-6-14(15,7-10)12-16-11(8-17-12)13(3,4)5/h8-10H,6-7,15H2,1-5H3
InChIKeyUWUVZMOLUJPEFS-UHFFFAOYSA-N
XLogP3.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclobutan-1-amine (CID 103563879) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclobutan-1-amine is CC(C)C1CC(N)(c2nc(C(C)(C)C)cs2)C1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is UWUVZMOLUJPEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-9(2)10-6-14(15,7-10)12-16-11(8-17-12)13(3,4)5/h8-10H,6-7,15H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclobutan-1-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103563879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).