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

C16H21N3S — CID 82428658

IUPACN-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
SMILESCCc1nc(-c2ccccn2)sc1CNC1CCCC1
InChIInChI=1S/C16H21N3S/c1-2-13-15(11-18-12-7-3-4-8-12)20-16(19-13)14-9-5-6-10-17-14/h5-6,9-10,12,18H,2-4,7-8,11H2,1H3
InChIKeyIKXVVBPRPDILLM-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.80
Rot. Bonds5

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

N-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine (PubChem CID 82428658) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
PubChem CID82428658
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
SMILESCCc1nc(-c2ccccn2)sc1CNC1CCCC1
InChIInChI=1S/C16H21N3S/c1-2-13-15(11-18-12-7-3-4-8-12)20-16(19-13)14-9-5-6-10-17-14/h5-6,9-10,12,18H,2-4,7-8,11H2,1H3
InChIKeyIKXVVBPRPDILLM-UHFFFAOYSA-N
XLogP3.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841874
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428112
N-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82430235
4-ethyl-5-methyl-2-pyridin-2-yl-1,3-thiazole
CID 91387936
N-[[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82440020
N-[[4-ethyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 102952823
3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid
CID 82428678
N-[(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428249
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
N-[[4-ethyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107935527
N-[[4-ethyl-2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841750
N-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63554033

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine (CID 82428658) is N-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine is CCc1nc(-c2ccccn2)sc1CNC1CCCC1.
What is the InChIKey of N-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
The InChIKey is IKXVVBPRPDILLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-2-13-15(11-18-12-7-3-4-8-12)20-16(19-13)14-9-5-6-10-17-14/h5-6,9-10,12,18H,2-4,7-8,11H2,1H3.
What are the key properties of N-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
N-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine has a molecular weight of 287.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine is sourced from PubChem (CID 82428658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).