1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine

C17H22N2S — CID 53271572

IUPAC1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESc1ccc(-c2cnc(CNCC3CCCCC3)s2)cc1
InChIInChI=1S/C17H22N2S/c1-3-7-14(8-4-1)11-18-13-17-19-12-16(20-17)15-9-5-2-6-10-15/h2,5-6,9-10,12,14,18H,1,3-4,7-8,11,13H2
InChIKeyKHHLPYNSPSYBCS-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.48
Rot. Bonds5

About 1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine

1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 53271572) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID53271572
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESc1ccc(-c2cnc(CNCC3CCCCC3)s2)cc1
InChIInChI=1S/C17H22N2S/c1-3-7-14(8-4-1)11-18-13-17-19-12-16(20-17)15-9-5-2-6-10-15/h2,5-6,9-10,12,14,18H,1,3-4,7-8,11,13H2
InChIKeyKHHLPYNSPSYBCS-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine (CID 53271572) is 1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine is c1ccc(-c2cnc(CNCC3CCCCC3)s2)cc1.
What is the InChIKey of 1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is KHHLPYNSPSYBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-3-7-14(8-4-1)11-18-13-17-19-12-16(20-17)15-9-5-2-6-10-15/h2,5-6,9-10,12,14,18H,1,3-4,7-8,11,13H2.
What are the key properties of 1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine?
1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 286.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 53271572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).