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

C10H15Cl2N3S — CID 155124701

IUPAC(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride
SMILESCl.N[C@@H]1c2nc(Cl)sc2CC12CCNCC2
InChIInChI=1S/C10H14ClN3S.ClH/c11-9-14-7-6(15-9)5-10(8(7)12)1-3-13-4-2-10;/h8,13H,1-5,12H2;1H/t8-;/m1./s1
InChIKeyVQRUZUMQZQZEBX-DDWIOCJRSA-N
MW280.22 g/mol
LogP2.14
Rot. Bonds

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

(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride (PubChem CID 155124701) has the molecular formula C10H15Cl2N3S and a molecular weight of 280.22 g/mol. Its IUPAC name is (4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride.

Molecular Properties

Compound Name(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride
PubChem CID155124701
Molecular FormulaC10H15Cl2N3S
Molecular Weight280.22 g/mol
Exact Mass279.04
IUPAC Name(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride
SMILESCl.N[C@@H]1c2nc(Cl)sc2CC12CCNCC2
InChIInChI=1S/C10H14ClN3S.ClH/c11-9-14-7-6(15-9)5-10(8(7)12)1-3-13-4-2-10;/h8,13H,1-5,12H2;1H/t8-;/m1./s1
InChIKeyVQRUZUMQZQZEBX-DDWIOCJRSA-N
XLogP2.14
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-{4,4-dimethyl-4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methanamine dihydrochloride
CID 177801603
2-(Difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
CID 167048093
(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 167048104
2-(Difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 175736624
(4S)-2-chloro-5-methyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
CID 146477444
(4S)-2-chloro-5,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
CID 146477616
(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
CID 146477722
(4S)-1'-tert-butyl-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
CID 146510516
(4S)-2-chloro-5-ethyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
CID 146510875
Spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 150722332
2-Chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
CID 153548773
(R)-N-[(6S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide
CID 153560315

Frequently Asked Questions

What is the IUPAC name of (4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride?
The IUPAC name of (4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride (CID 155124701) is (4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride.
What is the SMILES notation for (4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride?
The canonical SMILES for (4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride is Cl.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;hydrochloride?
The InChIKey is VQRUZUMQZQZEBX-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H14ClN3S.ClH/c11-9-14-7-6(15-9)5-10(8(7)12)1-3-13-4-2-10;/h8,13H,1-5,12H2;1H/t8-;/m1./s1.
What are the key properties of (4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride?
(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;hydrochloride has a molecular weight of 280.22 g/mol, XLogP of 2.14, 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;hydrochloride is sourced from PubChem (CID 155124701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).