(4S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride

C10H16ClN3S — CID 168944157

IUPAC(4S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride
SMILESCl.N[C@@H]1c2ncsc2CC12CCNCC2
InChIInChI=1S/C10H15N3S.ClH/c11-9-8-7(14-6-13-8)5-10(9)1-3-12-4-2-10;/h6,9,12H,1-5,11H2;1H/t9-;/m1./s1
InChIKeySKLJIJCGESOJOZ-SBSPUUFOSA-N
MW245.78 g/mol
LogP1.49
Rot. Bonds

About (4S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride

(4S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride (PubChem CID 168944157) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is (4S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride.

Molecular Properties

Compound Name(4S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride
PubChem CID168944157
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name(4S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride
SMILESCl.N[C@@H]1c2ncsc2CC12CCNCC2
InChIInChI=1S/C10H15N3S.ClH/c11-9-8-7(14-6-13-8)5-10(9)1-3-12-4-2-10;/h6,9,12H,1-5,11H2;1H/t9-;/m1./s1
InChIKeySKLJIJCGESOJOZ-SBSPUUFOSA-N
XLogP1.49
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride?
The IUPAC name of (4S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride (CID 168944157) is (4S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride.
What is the SMILES notation for (4S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride?
The canonical SMILES for (4S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride is Cl.N[C@@H]1c2ncsc2CC12CCNCC2.
What is the InChIKey of (4S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride?
The InChIKey is SKLJIJCGESOJOZ-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H15N3S.ClH/c11-9-8-7(14-6-13-8)5-10(9)1-3-12-4-2-10;/h6,9,12H,1-5,11H2;1H/t9-;/m1./s1.
What are the key properties of (4S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride?
(4S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride has a molecular weight of 245.78 g/mol, XLogP of 1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride is sourced from PubChem (CID 168944157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).