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

C13H20ClN3S — CID 167307706

IUPAC(6S)-2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
SMILESCC(C)N1CCC2(CC1)Cc1nc(Cl)sc1[C@H]2N
InChIInChI=1S/C13H20ClN3S/c1-8(2)17-5-3-13(4-6-17)7-9-10(11(13)15)18-12(14)16-9/h8,11H,3-7,15H2,1-2H3/t11-/m1/s1
InChIKeyYHOHTAKPVRQYQU-LLVKDONJSA-N
MW285.84 g/mol
LogP2.84
Rot. Bonds1

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

(6S)-2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine (PubChem CID 167307706) has the molecular formula C13H20ClN3S and a molecular weight of 285.84 g/mol. Its IUPAC name is (6S)-2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine.

Molecular Properties

Compound Name(6S)-2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
PubChem CID167307706
Molecular FormulaC13H20ClN3S
Molecular Weight285.84 g/mol
Exact Mass285.11
IUPAC Name(6S)-2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
SMILESCC(C)N1CCC2(CC1)Cc1nc(Cl)sc1[C@H]2N
InChIInChI=1S/C13H20ClN3S/c1-8(2)17-5-3-13(4-6-17)7-9-10(11(13)15)18-12(14)16-9/h8,11H,3-7,15H2,1-2H3/t11-/m1/s1
InChIKeyYHOHTAKPVRQYQU-LLVKDONJSA-N
XLogP2.84
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{4,4-dimethyl-4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methanamine dihydrochloride
CID 177801603
(6S)-2-(3-fluoroazetidin-1-yl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 167047830
2-(Difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
CID 167047849
(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 167048104
tert-butyl-[[(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium
CID 175736614
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
(6S)-5,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine
CID 148821088

Frequently Asked Questions

What is the IUPAC name of (6S)-2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine?
The IUPAC name of (6S)-2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine (CID 167307706) is (6S)-2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine.
What is the SMILES notation for (6S)-2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine?
The canonical SMILES for (6S)-2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine is CC(C)N1CCC2(CC1)Cc1nc(Cl)sc1[C@H]2N.
What is the InChIKey of (6S)-2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine?
The InChIKey is YHOHTAKPVRQYQU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20ClN3S/c1-8(2)17-5-3-13(4-6-17)7-9-10(11(13)15)18-12(14)16-9/h8,11H,3-7,15H2,1-2H3/t11-/m1/s1.
What are the key properties of (6S)-2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine?
(6S)-2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine has a molecular weight of 285.84 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine is sourced from PubChem (CID 167307706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).