N-(1,3-thiazol-5-ylmethyl)cyclopentanamine;hydrochloride

C9H15ClN2S — CID 167721682

IUPACN-(1,3-thiazol-5-ylmethyl)cyclopentanamine;hydrochloride
SMILESCl.c1ncc(CNC2CCCC2)s1
InChIInChI=1S/C9H14N2S.ClH/c1-2-4-8(3-1)11-6-9-5-10-7-12-9;/h5,7-8,11H,1-4,6H2;1H
InChIKeyFSWXNYRMSNLOMO-UHFFFAOYSA-N
MW218.75 g/mol
LogP2.60
Rot. Bonds3

About N-(1,3-thiazol-5-ylmethyl)cyclopentanamine;hydrochloride

N-(1,3-thiazol-5-ylmethyl)cyclopentanamine;hydrochloride (PubChem CID 167721682) has the molecular formula C9H15ClN2S and a molecular weight of 218.75 g/mol. Its IUPAC name is N-(1,3-thiazol-5-ylmethyl)cyclopentanamine;hydrochloride.

Molecular Properties

Compound NameN-(1,3-thiazol-5-ylmethyl)cyclopentanamine;hydrochloride
PubChem CID167721682
Molecular FormulaC9H15ClN2S
Molecular Weight218.75 g/mol
Exact Mass218.06
IUPAC NameN-(1,3-thiazol-5-ylmethyl)cyclopentanamine;hydrochloride
SMILESCl.c1ncc(CNC2CCCC2)s1
InChIInChI=1S/C9H14N2S.ClH/c1-2-4-8(3-1)11-6-9-5-10-7-12-9;/h5,7-8,11H,1-4,6H2;1H
InChIKeyFSWXNYRMSNLOMO-UHFFFAOYSA-N
XLogP2.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.75
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-5-ylmethyl)cyclopentanamine;hydrochloride?
The IUPAC name of N-(1,3-thiazol-5-ylmethyl)cyclopentanamine;hydrochloride (CID 167721682) is N-(1,3-thiazol-5-ylmethyl)cyclopentanamine;hydrochloride.
What is the SMILES notation for N-(1,3-thiazol-5-ylmethyl)cyclopentanamine;hydrochloride?
The canonical SMILES for N-(1,3-thiazol-5-ylmethyl)cyclopentanamine;hydrochloride is Cl.c1ncc(CNC2CCCC2)s1.
What is the InChIKey of N-(1,3-thiazol-5-ylmethyl)cyclopentanamine;hydrochloride?
The InChIKey is FSWXNYRMSNLOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S.ClH/c1-2-4-8(3-1)11-6-9-5-10-7-12-9;/h5,7-8,11H,1-4,6H2;1H.
What are the key properties of N-(1,3-thiazol-5-ylmethyl)cyclopentanamine;hydrochloride?
N-(1,3-thiazol-5-ylmethyl)cyclopentanamine;hydrochloride has a molecular weight of 218.75 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-5-ylmethyl)cyclopentanamine;hydrochloride is sourced from PubChem (CID 167721682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).