N-[[4-(cyclopentyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine

C14H24N2OS — CID 55073345

IUPACN-[[4-(cyclopentyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(COC2CCCC2)cs1
InChIInChI=1S/C14H24N2OS/c1-11(2)7-15-8-14-16-12(10-18-14)9-17-13-5-3-4-6-13/h10-11,13,15H,3-9H2,1-2H3
InChIKeyDDTQQIMIOARABJ-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.35
Rot. Bonds7

About N-[[4-(cyclopentyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[4-(cyclopentyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 55073345) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[[4-(cyclopentyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(cyclopentyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID55073345
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[[4-(cyclopentyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(COC2CCCC2)cs1
InChIInChI=1S/C14H24N2OS/c1-11(2)7-15-8-14-16-12(10-18-14)9-17-13-5-3-4-6-13/h10-11,13,15H,3-9H2,1-2H3
InChIKeyDDTQQIMIOARABJ-UHFFFAOYSA-N
XLogP3.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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-(cyclopentyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(cyclopentyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (CID 55073345) is N-[[4-(cyclopentyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(cyclopentyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(cyclopentyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nc(COC2CCCC2)cs1.
What is the InChIKey of N-[[4-(cyclopentyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is DDTQQIMIOARABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-11(2)7-15-8-14-16-12(10-18-14)9-17-13-5-3-4-6-13/h10-11,13,15H,3-9H2,1-2H3.
What are the key properties of N-[[4-(cyclopentyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[4-(cyclopentyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 268.43 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopentyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55073345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).