[2-(4-tert-butylcyclohexyl)-1,3-thiazol-5-yl]methanamine

C14H24N2S — CID 65415819

IUPAC[2-(4-tert-butylcyclohexyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)(C)C1CCC(c2ncc(CN)s2)CC1
InChIInChI=1S/C14H24N2S/c1-14(2,3)11-6-4-10(5-7-11)13-16-9-12(8-15)17-13/h9-11H,4-8,15H2,1-3H3
InChIKeyILSUBIAVLWZUIF-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.92
Rot. Bonds2

About [2-(4-tert-butylcyclohexyl)-1,3-thiazol-5-yl]methanamine

[2-(4-tert-butylcyclohexyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 65415819) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is [2-(4-tert-butylcyclohexyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butylcyclohexyl)-1,3-thiazol-5-yl]methanamine
PubChem CID65415819
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name[2-(4-tert-butylcyclohexyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)(C)C1CCC(c2ncc(CN)s2)CC1
InChIInChI=1S/C14H24N2S/c1-14(2,3)11-6-4-10(5-7-11)13-16-9-12(8-15)17-13/h9-11H,4-8,15H2,1-3H3
InChIKeyILSUBIAVLWZUIF-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylcyclohexyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(4-tert-butylcyclohexyl)-1,3-thiazol-5-yl]methanamine (CID 65415819) is [2-(4-tert-butylcyclohexyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-tert-butylcyclohexyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(4-tert-butylcyclohexyl)-1,3-thiazol-5-yl]methanamine is CC(C)(C)C1CCC(c2ncc(CN)s2)CC1.
What is the InChIKey of [2-(4-tert-butylcyclohexyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is ILSUBIAVLWZUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-14(2,3)11-6-4-10(5-7-11)13-16-9-12(8-15)17-13/h9-11H,4-8,15H2,1-3H3.
What are the key properties of [2-(4-tert-butylcyclohexyl)-1,3-thiazol-5-yl]methanamine?
[2-(4-tert-butylcyclohexyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 252.43 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylcyclohexyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 65415819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).