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

C12H20N2S — CID 82428112

IUPACN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
SMILESCCc1nc(C)sc1CNC1CCCC1
InChIInChI=1S/C12H20N2S/c1-3-11-12(15-9(2)14-11)8-13-10-6-4-5-7-10/h10,13H,3-8H2,1-2H3
InChIKeyCNOWQFQQRPZWDS-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.05
Rot. Bonds4

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

N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine (PubChem CID 82428112) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
PubChem CID82428112
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
SMILESCCc1nc(C)sc1CNC1CCCC1
InChIInChI=1S/C12H20N2S/c1-3-11-12(15-9(2)14-11)8-13-10-6-4-5-7-10/h10,13H,3-8H2,1-2H3
InChIKeyCNOWQFQQRPZWDS-UHFFFAOYSA-N
XLogP3.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428249
N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435835
N-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82433538
N-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428658
(3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 95221422
N-[[2-[cyclohexyl(methoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116778093
N-[[4-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841888
N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104692540
N-[(4-propylthiadiazol-5-yl)methyl]cyclopentanamine
CID 65204956
N-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82430235
N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841773
N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841779

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine (CID 82428112) is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine is CCc1nc(C)sc1CNC1CCCC1.
What is the InChIKey of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
The InChIKey is CNOWQFQQRPZWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-3-11-12(15-9(2)14-11)8-13-10-6-4-5-7-10/h10,13H,3-8H2,1-2H3.
What are the key properties of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine?
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine has a molecular weight of 224.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine is sourced from PubChem (CID 82428112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).