N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine

C16H20N2S — CID 53273092

IUPACN-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
SMILESCc1cccc(-c2cnc(CNC3CCCC3)s2)c1
InChIInChI=1S/C16H20N2S/c1-12-5-4-6-13(9-12)15-10-18-16(19-15)11-17-14-7-2-3-8-14/h4-6,9-10,14,17H,2-3,7-8,11H2,1H3
InChIKeyCPDNYQVJXOUANN-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.15
Rot. Bonds4

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

N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine (PubChem CID 53273092) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
PubChem CID53273092
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
SMILESCc1cccc(-c2cnc(CNC3CCCC3)s2)c1
InChIInChI=1S/C16H20N2S/c1-12-5-4-6-13(9-12)15-10-18-16(19-15)11-17-14-7-2-3-8-14/h4-6,9-10,14,17H,2-3,7-8,11H2,1H3
InChIKeyCPDNYQVJXOUANN-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53271603
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53272487
N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine
CID 53272842
N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 53272742
1-(3,4-dichlorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273083
N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclohexanamine
CID 53273401
N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]cyclohexanamine
CID 53272820
N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
CID 115655830
1-benzyl-N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine
CID 53271614
5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine
CID 116812125
1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 53271572
N-methyl-N'-[5-(3-methylphenyl)-1,3-thiazol-2-yl]propane-1,3-diamine
CID 90935667

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine (CID 53273092) is N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine is Cc1cccc(-c2cnc(CNC3CCCC3)s2)c1.
What is the InChIKey of N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine?
The InChIKey is CPDNYQVJXOUANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-12-5-4-6-13(9-12)15-10-18-16(19-15)11-17-14-7-2-3-8-14/h4-6,9-10,14,17H,2-3,7-8,11H2,1H3.
What are the key properties of N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine?
N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine has a molecular weight of 272.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 53273092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).