(6S)-6-amino-N,1'-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide

C13H20N4OS — CID 167047832

IUPAC(6S)-6-amino-N,1'-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide
SMILESCNC(=O)c1nc2c(s1)[C@@H](N)C1(CCN(C)CC1)C2
InChIInChI=1S/C13H20N4OS/c1-15-11(18)12-16-8-7-13(10(14)9(8)19-12)3-5-17(2)6-4-13/h10H,3-7,14H2,1-2H3,(H,15,18)/t10-/m1/s1
InChIKeyZKRLYZDBMKARHS-SNVBAGLBSA-N
MW280.40 g/mol
LogP0.77
Rot. Bonds1

About (6S)-6-amino-N,1'-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide

(6S)-6-amino-N,1'-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide (PubChem CID 167047832) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is (6S)-6-amino-N,1'-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide.

Molecular Properties

Compound Name(6S)-6-amino-N,1'-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide
PubChem CID167047832
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name(6S)-6-amino-N,1'-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide
SMILESCNC(=O)c1nc2c(s1)[C@@H](N)C1(CCN(C)CC1)C2
InChIInChI=1S/C13H20N4OS/c1-15-11(18)12-16-8-7-13(10(14)9(8)19-12)3-5-17(2)6-4-13/h10H,3-7,14H2,1-2H3,(H,15,18)/t10-/m1/s1
InChIKeyZKRLYZDBMKARHS-SNVBAGLBSA-N
XLogP0.77
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6S)-6-amino-N,1'-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide with MolForge

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Related Compounds

N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
CID 164638829
1-[(3S)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]ethanone
CID 164640351
1'-Tert-butyl-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 155187092
(6S)-2-methyl-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 155187107
(6R)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 155187109
(6S)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 155623252
3-(4-amino-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl)-6-methyl-1H-pyrazin-2-one
CID 156218837
(6S)-2-chloro-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 156482454
(4S)-2-chloro-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
CID 156482467
(4S)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
CID 158776895
(6S)-6-amino-N,5,5-trimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole-2-carboxamide
CID 167047885
(4S)-2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
CID 167048054

Frequently Asked Questions

What is the IUPAC name of (6S)-6-amino-N,1'-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide?
The IUPAC name of (6S)-6-amino-N,1'-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide (CID 167047832) is (6S)-6-amino-N,1'-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide.
What is the SMILES notation for (6S)-6-amino-N,1'-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide?
The canonical SMILES for (6S)-6-amino-N,1'-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide is CNC(=O)c1nc2c(s1)[C@@H](N)C1(CCN(C)CC1)C2.
What is the InChIKey of (6S)-6-amino-N,1'-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide?
The InChIKey is ZKRLYZDBMKARHS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-15-11(18)12-16-8-7-13(10(14)9(8)19-12)3-5-17(2)6-4-13/h10H,3-7,14H2,1-2H3,(H,15,18)/t10-/m1/s1.
What are the key properties of (6S)-6-amino-N,1'-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide?
(6S)-6-amino-N,1'-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide has a molecular weight of 280.40 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-amino-N,1'-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide is sourced from PubChem (CID 167047832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).