N-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentanamine

C17H22N2OS — CID 62597912

IUPACN-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentanamine
SMILESCc1csc(-c2ccc(OCCNC3CCCC3)cc2)n1
InChIInChI=1S/C17H22N2OS/c1-13-12-21-17(19-13)14-6-8-16(9-7-14)20-11-10-18-15-4-2-3-5-15/h6-9,12,15,18H,2-5,10-11H2,1H3
InChIKeyYVHALSOVXYQTKD-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.03
Rot. Bonds6

About N-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentanamine

N-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentanamine (PubChem CID 62597912) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentanamine
PubChem CID62597912
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentanamine
SMILESCc1csc(-c2ccc(OCCNC3CCCC3)cc2)n1
InChIInChI=1S/C17H22N2OS/c1-13-12-21-17(19-13)14-6-8-16(9-7-14)20-11-10-18-15-4-2-3-5-15/h6-9,12,15,18H,2-5,10-11H2,1H3
InChIKeyYVHALSOVXYQTKD-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 62598247
2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentan-1-one
CID 79577643
N-[4-(4-methylphenoxy)butyl]cyclopentanamine
CID 2948932
4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide
CID 63570309
N-[2-(3,4-dimethylphenoxy)ethyl]cycloheptanamine
CID 63504448
1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol
CID 20636847
N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
CID 46835310
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123257
1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one
CID 107508099
N-[2-(4-butylphenoxy)ethyl]cycloheptanamine
CID 115493422
4-[2-(cyclopentylamino)ethoxy]benzonitrile
CID 2199873
2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9123141

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentanamine?
The IUPAC name of N-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentanamine (CID 62597912) is N-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentanamine?
The canonical SMILES for N-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentanamine is Cc1csc(-c2ccc(OCCNC3CCCC3)cc2)n1.
What is the InChIKey of N-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentanamine?
The InChIKey is YVHALSOVXYQTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-13-12-21-17(19-13)14-6-8-16(9-7-14)20-11-10-18-15-4-2-3-5-15/h6-9,12,15,18H,2-5,10-11H2,1H3.
What are the key properties of N-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentanamine?
N-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentanamine has a molecular weight of 302.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentanamine is sourced from PubChem (CID 62597912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).