5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine

C13H21N3S — CID 79772405

IUPAC5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCCC2C2CCCC2)s1
InChIInChI=1S/C13H21N3S/c14-13-15-8-11(17-13)9-16-7-3-6-12(16)10-4-1-2-5-10/h8,10,12H,1-7,9H2,(H2,14,15)
InChIKeyOOVDBWZSVYTOQD-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.88
Rot. Bonds3

About 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine

5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 79772405) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID79772405
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCCC2C2CCCC2)s1
InChIInChI=1S/C13H21N3S/c14-13-15-8-11(17-13)9-16-7-3-6-12(16)10-4-1-2-5-10/h8,10,12H,1-7,9H2,(H2,14,15)
InChIKeyOOVDBWZSVYTOQD-UHFFFAOYSA-N
XLogP2.88
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-amine
CID 79772048
[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764382
5-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771907
[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 120899176
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79772491
5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120901300
5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902676
5-[[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901371
5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120899637
5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120905085
5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897264
5-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120899075

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine (CID 79772405) is 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCCC2C2CCCC2)s1.
What is the InChIKey of 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is OOVDBWZSVYTOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c14-13-15-8-11(17-13)9-16-7-3-6-12(16)10-4-1-2-5-10/h8,10,12H,1-7,9H2,(H2,14,15).
What are the key properties of 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 251.40 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79772405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).