N-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine

C15H24N2O2S — CID 82440933

IUPACN-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine
SMILESCOCc1nc(C2CCCO2)sc1CNC1CCCC1
InChIInChI=1S/C15H24N2O2S/c1-18-10-12-14(9-16-11-5-2-3-6-11)20-15(17-12)13-7-4-8-19-13/h11,13,16H,2-10H2,1H3
InChIKeyYIDICWWCKNJNKG-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.17
Rot. Bonds6

About N-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine

N-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine (PubChem CID 82440933) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine
PubChem CID82440933
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine
SMILESCOCc1nc(C2CCCO2)sc1CNC1CCCC1
InChIInChI=1S/C15H24N2O2S/c1-18-10-12-14(9-16-11-5-2-3-6-11)20-15(17-12)13-7-4-8-19-13/h11,13,16H,2-10H2,1H3
InChIKeyYIDICWWCKNJNKG-UHFFFAOYSA-N
XLogP3.17
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine (CID 82440933) is N-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine is COCc1nc(C2CCCO2)sc1CNC1CCCC1.
What is the InChIKey of N-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine?
The InChIKey is YIDICWWCKNJNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-18-10-12-14(9-16-11-5-2-3-6-11)20-15(17-12)13-7-4-8-19-13/h11,13,16H,2-10H2,1H3.
What are the key properties of N-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine?
N-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine has a molecular weight of 296.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine is sourced from PubChem (CID 82440933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).