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

C14H22N2OS — CID 55073009

IUPACN-[[4-(cyclohexyloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESc1sc(CNC2CC2)nc1COC1CCCCC1
InChIInChI=1S/C14H22N2OS/c1-2-4-13(5-3-1)17-9-12-10-18-14(16-12)8-15-11-6-7-11/h10-11,13,15H,1-9H2
InChIKeyJZLGHZAHJYLLRJ-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.24
Rot. Bonds6

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

N-[[4-(cyclohexyloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 55073009) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[[4-(cyclohexyloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(cyclohexyloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID55073009
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[[4-(cyclohexyloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESc1sc(CNC2CC2)nc1COC1CCCCC1
InChIInChI=1S/C14H22N2OS/c1-2-4-13(5-3-1)17-9-12-10-18-14(16-12)8-15-11-6-7-11/h10-11,13,15H,1-9H2
InChIKeyJZLGHZAHJYLLRJ-UHFFFAOYSA-N
XLogP3.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclohexyloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(cyclohexyloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 55073009) is N-[[4-(cyclohexyloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(cyclohexyloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(cyclohexyloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine is c1sc(CNC2CC2)nc1COC1CCCCC1.
What is the InChIKey of N-[[4-(cyclohexyloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is JZLGHZAHJYLLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-2-4-13(5-3-1)17-9-12-10-18-14(16-12)8-15-11-6-7-11/h10-11,13,15H,1-9H2.
What are the key properties of N-[[4-(cyclohexyloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-(cyclohexyloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 266.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclohexyloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55073009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).