1-[4-tert-butyl-2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine

C17H30N2OS — CID 114362453

IUPAC1-[4-tert-butyl-2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(C(OC)C2CCCCC2)nc1C(C)(C)C
InChIInChI=1S/C17H30N2OS/c1-17(2,3)15-13(11-18-4)21-16(19-15)14(20-5)12-9-7-6-8-10-12/h12,14,18H,6-11H2,1-5H3
InChIKeyYYPMRNUTVAIYFO-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.43
Rot. Bonds5

About 1-[4-tert-butyl-2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-tert-butyl-2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114362453) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-tert-butyl-2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114362453
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name1-[4-tert-butyl-2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(C(OC)C2CCCCC2)nc1C(C)(C)C
InChIInChI=1S/C17H30N2OS/c1-17(2,3)15-13(11-18-4)21-16(19-15)14(20-5)12-9-7-6-8-10-12/h12,14,18H,6-11H2,1-5H3
InChIKeyYYPMRNUTVAIYFO-UHFFFAOYSA-N
XLogP4.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-tert-butyl-2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114362453) is 1-[4-tert-butyl-2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-tert-butyl-2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-tert-butyl-2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(C(OC)C2CCCCC2)nc1C(C)(C)C.
What is the InChIKey of 1-[4-tert-butyl-2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is YYPMRNUTVAIYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-17(2,3)15-13(11-18-4)21-16(19-15)14(20-5)12-9-7-6-8-10-12/h12,14,18H,6-11H2,1-5H3.
What are the key properties of 1-[4-tert-butyl-2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-tert-butyl-2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 310.51 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114362453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).