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

C18H32N2S — CID 63462433

IUPAC1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCc1nc(C(C)(C)C)sc1C(C)NCC1CCC(C)CC1
InChIInChI=1S/C18H32N2S/c1-12-7-9-15(10-8-12)11-19-13(2)16-14(3)20-17(21-16)18(4,5)6/h12-13,15,19H,7-11H2,1-6H3
InChIKeyPZDJNCWGHGOIOW-UHFFFAOYSA-N
MW308.54 g/mol
LogP5.23
Rot. Bonds4

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

1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine (PubChem CID 63462433) has the molecular formula C18H32N2S and a molecular weight of 308.54 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
PubChem CID63462433
Molecular FormulaC18H32N2S
Molecular Weight308.54 g/mol
Exact Mass308.23
IUPAC Name1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCc1nc(C(C)(C)C)sc1C(C)NCC1CCC(C)CC1
InChIInChI=1S/C18H32N2S/c1-12-7-9-15(10-8-12)11-19-13(2)16-14(3)20-17(21-16)18(4,5)6/h12-13,15,19H,7-11H2,1-6H3
InChIKeyPZDJNCWGHGOIOW-UHFFFAOYSA-N
XLogP5.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine (CID 63462433) is 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine is Cc1nc(C(C)(C)C)sc1C(C)NCC1CCC(C)CC1.
What is the InChIKey of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is PZDJNCWGHGOIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-12-7-9-15(10-8-12)11-19-13(2)16-14(3)20-17(21-16)18(4,5)6/h12-13,15,19H,7-11H2,1-6H3.
What are the key properties of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 308.54 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 63462433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).