(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine

C10H14ClN3S — CID 146477722

IUPAC(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
SMILESN[C@@H]1c2nc(Cl)sc2CC12CCNCC2
InChIInChI=1S/C10H14ClN3S/c11-9-14-7-6(15-9)5-10(8(7)12)1-3-13-4-2-10/h8,13H,1-5,12H2/t8-/m1/s1
InChIKeyMCFHRVQZRIQVFT-MRVPVSSYSA-N
MW243.76 g/mol
LogP1.72
Rot. Bonds

About (4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine

(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine (PubChem CID 146477722) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is (4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine.

Molecular Properties

Compound Name(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
PubChem CID146477722
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
SMILESN[C@@H]1c2nc(Cl)sc2CC12CCNCC2
InChIInChI=1S/C10H14ClN3S/c11-9-14-7-6(15-9)5-10(8(7)12)1-3-13-4-2-10/h8,13H,1-5,12H2/t8-/m1/s1
InChIKeyMCFHRVQZRIQVFT-MRVPVSSYSA-N
XLogP1.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine?
The IUPAC name of (4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine (CID 146477722) is (4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine.
What is the SMILES notation for (4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine?
The canonical SMILES for (4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine is N[C@@H]1c2nc(Cl)sc2CC12CCNCC2.
What is the InChIKey of (4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine?
The InChIKey is MCFHRVQZRIQVFT-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14ClN3S/c11-9-14-7-6(15-9)5-10(8(7)12)1-3-13-4-2-10/h8,13H,1-5,12H2/t8-/m1/s1.
What are the key properties of (4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine?
(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine has a molecular weight of 243.76 g/mol, XLogP of 1.72, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine is sourced from PubChem (CID 146477722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).