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

C14H22ClN3S — CID 146510516

IUPAC(4S)-1'-tert-butyl-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
SMILESCC(C)(C)N1CCC2(CC1)Cc1sc(Cl)nc1[C@H]2N
InChIInChI=1S/C14H22ClN3S/c1-13(2,3)18-6-4-14(5-7-18)8-9-10(11(14)16)17-12(15)19-9/h11H,4-8,16H2,1-3H3/t11-/m1/s1
InChIKeyCACZDIXRMSDUIS-LLVKDONJSA-N
MW299.87 g/mol
LogP3.23
Rot. Bonds

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

(4S)-1'-tert-butyl-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine (PubChem CID 146510516) has the molecular formula C14H22ClN3S and a molecular weight of 299.87 g/mol. Its IUPAC name is (4S)-1'-tert-butyl-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine.

Molecular Properties

Compound Name(4S)-1'-tert-butyl-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
PubChem CID146510516
Molecular FormulaC14H22ClN3S
Molecular Weight299.87 g/mol
Exact Mass299.12
IUPAC Name(4S)-1'-tert-butyl-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
SMILESCC(C)(C)N1CCC2(CC1)Cc1sc(Cl)nc1[C@H]2N
InChIInChI=1S/C14H22ClN3S/c1-13(2,3)18-6-4-14(5-7-18)8-9-10(11(14)16)17-12(15)19-9/h11H,4-8,16H2,1-3H3/t11-/m1/s1
InChIKeyCACZDIXRMSDUIS-LLVKDONJSA-N
XLogP3.23
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-1'-tert-butyl-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine?
The IUPAC name of (4S)-1'-tert-butyl-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine (CID 146510516) is (4S)-1'-tert-butyl-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine.
What is the SMILES notation for (4S)-1'-tert-butyl-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine?
The canonical SMILES for (4S)-1'-tert-butyl-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine is CC(C)(C)N1CCC2(CC1)Cc1sc(Cl)nc1[C@H]2N.
What is the InChIKey of (4S)-1'-tert-butyl-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine?
The InChIKey is CACZDIXRMSDUIS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22ClN3S/c1-13(2,3)18-6-4-14(5-7-18)8-9-10(11(14)16)17-12(15)19-9/h11H,4-8,16H2,1-3H3/t11-/m1/s1.
What are the key properties of (4S)-1'-tert-butyl-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine?
(4S)-1'-tert-butyl-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine has a molecular weight of 299.87 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1'-tert-butyl-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine is sourced from PubChem (CID 146510516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).