N-[[1-(1,3-thiazol-4-ylmethyl)cyclopentyl]methyl]propan-1-amine

C13H22N2S — CID 62723392

IUPACN-[[1-(1,3-thiazol-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cscn2)CCCC1
InChIInChI=1S/C13H22N2S/c1-2-7-14-10-13(5-3-4-6-13)8-12-9-16-11-15-12/h9,11,14H,2-8,10H2,1H3
InChIKeyJLILARXHFHFLEY-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.25
Rot. Bonds6

About N-[[1-(1,3-thiazol-4-ylmethyl)cyclopentyl]methyl]propan-1-amine

N-[[1-(1,3-thiazol-4-ylmethyl)cyclopentyl]methyl]propan-1-amine (PubChem CID 62723392) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[[1-(1,3-thiazol-4-ylmethyl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(1,3-thiazol-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
PubChem CID62723392
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[[1-(1,3-thiazol-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cscn2)CCCC1
InChIInChI=1S/C13H22N2S/c1-2-7-14-10-13(5-3-4-6-13)8-12-9-16-11-15-12/h9,11,14H,2-8,10H2,1H3
InChIKeyJLILARXHFHFLEY-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-thiazol-4-ylmethyl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(1,3-thiazol-4-ylmethyl)cyclopentyl]methyl]propan-1-amine (CID 62723392) is N-[[1-(1,3-thiazol-4-ylmethyl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(1,3-thiazol-4-ylmethyl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(1,3-thiazol-4-ylmethyl)cyclopentyl]methyl]propan-1-amine is CCCNCC1(Cc2cscn2)CCCC1.
What is the InChIKey of N-[[1-(1,3-thiazol-4-ylmethyl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is JLILARXHFHFLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-2-7-14-10-13(5-3-4-6-13)8-12-9-16-11-15-12/h9,11,14H,2-8,10H2,1H3.
What are the key properties of N-[[1-(1,3-thiazol-4-ylmethyl)cyclopentyl]methyl]propan-1-amine?
N-[[1-(1,3-thiazol-4-ylmethyl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-thiazol-4-ylmethyl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 62723392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).