1-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]cyclopentan-1-amine

C13H23N3S — CID 64682059

IUPAC1-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]cyclopentan-1-amine
SMILESCc1csc(CCNCCC2(N)CCCC2)n1
InChIInChI=1S/C13H23N3S/c1-11-10-17-12(16-11)4-8-15-9-7-13(14)5-2-3-6-13/h10,15H,2-9,14H2,1H3
InChIKeyYEDJMNSTLBHMAX-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.25
Rot. Bonds6

About 1-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]cyclopentan-1-amine

1-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]cyclopentan-1-amine (PubChem CID 64682059) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]cyclopentan-1-amine
PubChem CID64682059
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]cyclopentan-1-amine
SMILESCc1csc(CCNCCC2(N)CCCC2)n1
InChIInChI=1S/C13H23N3S/c1-11-10-17-12(16-11)4-8-15-9-7-13(14)5-2-3-6-13/h10,15H,2-9,14H2,1H3
InChIKeyYEDJMNSTLBHMAX-UHFFFAOYSA-N
XLogP2.25
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(aminomethyl)cycloheptyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115445024
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115453861
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 63000811
2-(4-methyl-1,3-thiazol-2-yl)ethylhydrazine
CID 105220758
1-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexan-1-amine
CID 64677705
3,3-dimethyl-1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butane-1,2-diamine
CID 112555997
1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 116591347
2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 81168695
1-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclobutan-1-amine
CID 79842978
2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid
CID 82103146
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 115435528
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclopentan-1-amine
CID 79856277

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]cyclopentan-1-amine?
The IUPAC name of 1-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]cyclopentan-1-amine (CID 64682059) is 1-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]cyclopentan-1-amine is Cc1csc(CCNCCC2(N)CCCC2)n1.
What is the InChIKey of 1-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]cyclopentan-1-amine?
The InChIKey is YEDJMNSTLBHMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-11-10-17-12(16-11)4-8-15-9-7-13(14)5-2-3-6-13/h10,15H,2-9,14H2,1H3.
What are the key properties of 1-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]cyclopentan-1-amine?
1-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]cyclopentan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]cyclopentan-1-amine is sourced from PubChem (CID 64682059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).