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

C14H24N2OS — CID 55073260

IUPACN-[[4-[(4-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(COC2CCC(C)CC2)cs1
InChIInChI=1S/C14H24N2OS/c1-3-15-8-14-16-12(10-18-14)9-17-13-6-4-11(2)5-7-13/h10-11,13,15H,3-9H2,1-2H3
InChIKeyPIGQYDILDWPQAB-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.35
Rot. Bonds6

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

N-[[4-[(4-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 55073260) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[[4-[(4-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(4-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID55073260
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[[4-[(4-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(COC2CCC(C)CC2)cs1
InChIInChI=1S/C14H24N2OS/c1-3-15-8-14-16-12(10-18-14)9-17-13-6-4-11(2)5-7-13/h10-11,13,15H,3-9H2,1-2H3
InChIKeyPIGQYDILDWPQAB-UHFFFAOYSA-N
XLogP3.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(4-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine (CID 55073260) is N-[[4-[(4-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(4-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(4-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine is CCNCc1nc(COC2CCC(C)CC2)cs1.
What is the InChIKey of N-[[4-[(4-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is PIGQYDILDWPQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-3-15-8-14-16-12(10-18-14)9-17-13-6-4-11(2)5-7-13/h10-11,13,15H,3-9H2,1-2H3.
What are the key properties of N-[[4-[(4-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[4-[(4-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 268.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 55073260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).