N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine

C17H23N3S — CID 171130428

IUPACN-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1csc(C2CCCC2)n1
InChIInChI=1S/C17H23N3S/c1-20(11-9-15-8-4-5-10-18-15)12-16-13-21-17(19-16)14-6-2-3-7-14/h4-5,8,10,13-14H,2-3,6-7,9,11-12H2,1H3
InChIKeyFUIALZDERMDPIQ-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.87
Rot. Bonds6

About N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine

N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine (PubChem CID 171130428) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine
PubChem CID171130428
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1csc(C2CCCC2)n1
InChIInChI=1S/C17H23N3S/c1-20(11-9-15-8-4-5-10-18-15)12-16-13-21-17(19-16)14-6-2-3-7-14/h4-5,8,10,13-14H,2-3,6-7,9,11-12H2,1H3
InChIKeyFUIALZDERMDPIQ-UHFFFAOYSA-N
XLogP3.87
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 171130226
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 62419199
N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62569303
1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 95767942
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
2-(1,3-dioxan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 66475134
N-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 62573237
N-methyl-N-[[(2R)-piperidin-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 28599674
1-cyclopentyl-N,N'-dimethyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 104744569
N-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine
CID 62614406
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 112799744
2-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopentan-1-amine
CID 82768381

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine (CID 171130428) is N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine is CN(CCc1ccccn1)Cc1csc(C2CCCC2)n1.
What is the InChIKey of N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
The InChIKey is FUIALZDERMDPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-20(11-9-15-8-4-5-10-18-15)12-16-13-21-17(19-16)14-6-2-3-7-14/h4-5,8,10,13-14H,2-3,6-7,9,11-12H2,1H3.
What are the key properties of N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine has a molecular weight of 301.46 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 171130428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).