N-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine

C14H17N3S — CID 82422667

IUPACN-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
SMILESc1cc(-c2ncc(CNC3CCCC3)s2)ccn1
InChIInChI=1S/C14H17N3S/c1-2-4-12(3-1)16-9-13-10-17-14(18-13)11-5-7-15-8-6-11/h5-8,10,12,16H,1-4,9H2
InChIKeyCQOJFAQJEMFYMX-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.24
Rot. Bonds4

About N-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine

N-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine (PubChem CID 82422667) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
PubChem CID82422667
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
SMILESc1cc(-c2ncc(CNC3CCCC3)s2)ccn1
InChIInChI=1S/C14H17N3S/c1-2-4-12(3-1)16-9-13-10-17-14(18-13)11-5-7-15-8-6-11/h5-8,10,12,16H,1-4,9H2
InChIKeyCQOJFAQJEMFYMX-UHFFFAOYSA-N
XLogP3.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82422546
N-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 61282341
N-(pyridin-4-ylmethyl)cyclooctanamine
CID 4722994
4-[[2-(4-bromophenyl)-1,3-thiazol-5-yl]methylamino]cyclohexane-1-carboxylic acid
CID 120509681
5-ethyl-2-pyridin-4-yl-1,3-thiazole
CID 59113493
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
CID 62752845
N-[[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55181747
(6R)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95299685
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine
CID 63121173
3-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-1-amine
CID 115092126
N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 119033132
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine (CID 82422667) is N-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine is c1cc(-c2ncc(CNC3CCCC3)s2)ccn1.
What is the InChIKey of N-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
The InChIKey is CQOJFAQJEMFYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-2-4-12(3-1)16-9-13-10-17-14(18-13)11-5-7-15-8-6-11/h5-8,10,12,16H,1-4,9H2.
What are the key properties of N-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
N-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine has a molecular weight of 259.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine is sourced from PubChem (CID 82422667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).