1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine

C16H22N2S — CID 61280917

IUPAC1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2)sc1C(C)N
InChIInChI=1S/C16H22N2S/c1-10(17)14-11(2)18-15(19-14)12-6-8-13(9-7-12)16(3,4)5/h6-10H,17H2,1-5H3
InChIKeyXCBSHMPPQHPYCI-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.44
Rot. Bonds2

About 1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine

1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 61280917) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID61280917
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2)sc1C(C)N
InChIInChI=1S/C16H22N2S/c1-10(17)14-11(2)18-15(19-14)12-6-8-13(9-7-12)16(3,4)5/h6-10H,17H2,1-5H3
InChIKeyXCBSHMPPQHPYCI-UHFFFAOYSA-N
XLogP4.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 61280917) is 1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1C(C)N.
What is the InChIKey of 1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is XCBSHMPPQHPYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-10(17)14-11(2)18-15(19-14)12-6-8-13(9-7-12)16(3,4)5/h6-10H,17H2,1-5H3.
What are the key properties of 1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 274.43 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 61280917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).