(2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine

C15H20N2S — CID 82438449

IUPAC(2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine
SMILESCC(C)(C)c1nc(Cc2ccccc2)sc1CN
InChIInChI=1S/C15H20N2S/c1-15(2,3)14-12(10-16)18-13(17-14)9-11-7-5-4-6-8-11/h4-8H,9-10,16H2,1-3H3
InChIKeyQDONKEJBLNZCIS-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.49
Rot. Bonds3

About (2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine

(2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine (PubChem CID 82438449) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is (2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine
PubChem CID82438449
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name(2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine
SMILESCC(C)(C)c1nc(Cc2ccccc2)sc1CN
InChIInChI=1S/C15H20N2S/c1-15(2,3)14-12(10-16)18-13(17-14)9-11-7-5-4-6-8-11/h4-8H,9-10,16H2,1-3H3
InChIKeyQDONKEJBLNZCIS-UHFFFAOYSA-N
XLogP3.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine (CID 82438449) is (2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine is CC(C)(C)c1nc(Cc2ccccc2)sc1CN.
What is the InChIKey of (2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is QDONKEJBLNZCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-15(2,3)14-12(10-16)18-13(17-14)9-11-7-5-4-6-8-11/h4-8H,9-10,16H2,1-3H3.
What are the key properties of (2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine?
(2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 260.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 82438449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).