(4-tert-butylcyclohexyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine

C17H30N2S — CID 104575717

IUPAC(4-tert-butylcyclohexyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCCc1nc(C(N)C2CCC(C(C)(C)C)CC2)sc1C
InChIInChI=1S/C17H30N2S/c1-6-14-11(2)20-16(19-14)15(18)12-7-9-13(10-8-12)17(3,4)5/h12-13,15H,6-10,18H2,1-5H3
InChIKeySEGAMTUYEVVTHT-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.87
Rot. Bonds3

About (4-tert-butylcyclohexyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine

(4-tert-butylcyclohexyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 104575717) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID104575717
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name(4-tert-butylcyclohexyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCCc1nc(C(N)C2CCC(C(C)(C)C)CC2)sc1C
InChIInChI=1S/C17H30N2S/c1-6-14-11(2)20-16(19-14)15(18)12-7-9-13(10-8-12)17(3,4)5/h12-13,15H,6-10,18H2,1-5H3
InChIKeySEGAMTUYEVVTHT-UHFFFAOYSA-N
XLogP4.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (4-tert-butylcyclohexyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine (CID 104575717) is (4-tert-butylcyclohexyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (4-tert-butylcyclohexyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine is CCc1nc(C(N)C2CCC(C(C)(C)C)CC2)sc1C.
What is the InChIKey of (4-tert-butylcyclohexyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is SEGAMTUYEVVTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-6-14-11(2)20-16(19-14)15(18)12-7-9-13(10-8-12)17(3,4)5/h12-13,15H,6-10,18H2,1-5H3.
What are the key properties of (4-tert-butylcyclohexyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine?
(4-tert-butylcyclohexyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 294.51 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 104575717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).