1'-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine

C10H14ClN3S — CID 155649460

IUPAC1'-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
SMILESNC1c2ncsc2CC12CCN(Cl)CC2
InChIInChI=1S/C10H14ClN3S/c11-14-3-1-10(2-4-14)5-7-8(9(10)12)13-6-15-7/h6,9H,1-5,12H2
InChIKeyKKZDLYGZDMDATH-UHFFFAOYSA-N
MW243.76 g/mol
LogP1.93
Rot. Bonds

About 1'-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine

1'-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine (PubChem CID 155649460) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 1'-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine.

Molecular Properties

Compound Name1'-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
PubChem CID155649460
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name1'-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
SMILESNC1c2ncsc2CC12CCN(Cl)CC2
InChIInChI=1S/C10H14ClN3S/c11-14-3-1-10(2-4-14)5-7-8(9(10)12)13-6-15-7/h6,9H,1-5,12H2
InChIKeyKKZDLYGZDMDATH-UHFFFAOYSA-N
XLogP1.93
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine?
The IUPAC name of 1'-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine (CID 155649460) is 1'-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine.
What is the SMILES notation for 1'-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine?
The canonical SMILES for 1'-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine is NC1c2ncsc2CC12CCN(Cl)CC2.
What is the InChIKey of 1'-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine?
The InChIKey is KKZDLYGZDMDATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3S/c11-14-3-1-10(2-4-14)5-7-8(9(10)12)13-6-15-7/h6,9H,1-5,12H2.
What are the key properties of 1'-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine?
1'-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine has a molecular weight of 243.76 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine is sourced from PubChem (CID 155649460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).