2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine

C16H20N2OS — CID 62901090

IUPAC2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
SMILESCOC1CCCC1NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H20N2OS/c1-19-15-9-5-8-13(15)17-10-16-18-14(11-20-16)12-6-3-2-4-7-12/h2-4,6-7,11,13,15,17H,5,8-10H2,1H3
InChIKeyPWXAYSDVUHIKAR-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.47
Rot. Bonds5

About 2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine

2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine (PubChem CID 62901090) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
PubChem CID62901090
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
SMILESCOC1CCCC1NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H20N2OS/c1-19-15-9-5-8-13(15)17-10-16-18-14(11-20-16)12-6-3-2-4-7-12/h2-4,6-7,11,13,15,17H,5,8-10H2,1H3
InChIKeyPWXAYSDVUHIKAR-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
CID 3223637
N-(2-methoxyethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 5115919
cyclopentyl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate
CID 162664680
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 4876326
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine
CID 600157
(R)-1-phenyl-N-((4-phenyl-1,3-thiazol-2-yl)methyl)ethanamine
CID 45484067
2-benzyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 45883956
1-(4-methylmorpholin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 53615064
N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 71913718
[(3S)-piperidin-3-yl] N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]carbamate
CID 172447645
N-{[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl}tetrahydrofuran-2-carboxamide
CID 6465057
N-({4-[4-(Propan-2-YL)-1,3-thiazol-2-YL]phenyl}methyl)oxolane-2-carboxamide
CID 91653947

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine (CID 62901090) is 2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine is COC1CCCC1NCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is PWXAYSDVUHIKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-19-15-9-5-8-13(15)17-10-16-18-14(11-20-16)12-6-3-2-4-7-12/h2-4,6-7,11,13,15,17H,5,8-10H2,1H3.
What are the key properties of 2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine?
2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 288.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 62901090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).