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

C16H20N2OS — CID 82516123

IUPACN-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine
SMILESCOc1ccccc1-c1nc(CNC2CCCC2)cs1
InChIInChI=1S/C16H20N2OS/c1-19-15-9-5-4-8-14(15)16-18-13(11-20-16)10-17-12-6-2-3-7-12/h4-5,8-9,11-12,17H,2-3,6-7,10H2,1H3
InChIKeyYPEHOWQWVVHGCW-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.85
Rot. Bonds5

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

N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine (PubChem CID 82516123) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine
PubChem CID82516123
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine
SMILESCOc1ccccc1-c1nc(CNC2CCCC2)cs1
InChIInChI=1S/C16H20N2OS/c1-19-15-9-5-4-8-14(15)16-18-13(11-20-16)10-17-12-6-2-3-7-12/h4-5,8-9,11-12,17H,2-3,6-7,10H2,1H3
InChIKeyYPEHOWQWVVHGCW-UHFFFAOYSA-N
XLogP3.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclooctanamine
CID 8558646
N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82427019
4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole
CID 82094625
N-[[2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 55039282
N-cyclopropyl-3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333079
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine
CID 112796571
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
N-cyclopentyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 8961735
2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928786
N-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 55065529
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine (CID 82516123) is N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine is COc1ccccc1-c1nc(CNC2CCCC2)cs1.
What is the InChIKey of N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine?
The InChIKey is YPEHOWQWVVHGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-19-15-9-5-4-8-14(15)16-18-13(11-20-16)10-17-12-6-2-3-7-12/h4-5,8-9,11-12,17H,2-3,6-7,10H2,1H3.
What are the key properties of N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine?
N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine has a molecular weight of 288.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine is sourced from PubChem (CID 82516123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).