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

C15H24N2OS — CID 55073499

IUPACN-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCC1CCCCC1OCc1csc(CNC2CC2)n1
InChIInChI=1S/C15H24N2OS/c1-11-4-2-3-5-14(11)18-9-13-10-19-15(17-13)8-16-12-6-7-12/h10-12,14,16H,2-9H2,1H3
InChIKeyASOBMCXZDRNQMA-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.49
Rot. Bonds6

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

N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 55073499) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID55073499
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCC1CCCCC1OCc1csc(CNC2CC2)n1
InChIInChI=1S/C15H24N2OS/c1-11-4-2-3-5-14(11)18-9-13-10-19-15(17-13)8-16-12-6-7-12/h10-12,14,16H,2-9H2,1H3
InChIKeyASOBMCXZDRNQMA-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 55073499) is N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is CC1CCCCC1OCc1csc(CNC2CC2)n1.
What is the InChIKey of N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is ASOBMCXZDRNQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11-4-2-3-5-14(11)18-9-13-10-19-15(17-13)8-16-12-6-7-12/h10-12,14,16H,2-9H2,1H3.
What are the key properties of N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 280.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55073499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).