2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid

C14H21N3O2S — CID 175736621

IUPAC2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid
SMILESCN(C)Cc1nc2c(s1)CC1(CCN(C(=O)O)CC1)C2
InChIInChI=1S/C14H21N3O2S/c1-16(2)9-12-15-10-7-14(8-11(10)20-12)3-5-17(6-4-14)13(18)19/h3-9H2,1-2H3,(H,18,19)
InChIKeyZYDBEFKUNJVSEU-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.06
Rot. Bonds2

About 2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid

2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid (PubChem CID 175736621) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid
PubChem CID175736621
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid
SMILESCN(C)Cc1nc2c(s1)CC1(CCN(C(=O)O)CC1)C2
InChIInChI=1S/C14H21N3O2S/c1-16(2)9-12-15-10-7-14(8-11(10)20-12)3-5-17(6-4-14)13(18)19/h3-9H2,1-2H3,(H,18,19)
InChIKeyZYDBEFKUNJVSEU-UHFFFAOYSA-N
XLogP2.06
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid with MolForge

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Related Compounds

1-[(3S)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]ethanone
CID 164640351
2-(Difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
CID 167047849
1-(4-((5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methyl)piperazin-1-yl)ethanone
CID 44060292
tert-butyl (6Z)-6-[(R)-tert-butylsulfinyl]imino-2-chlorospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 142433800
tert-butyl 6-[(R)-tert-butylsulfinyl]imino-2-chlorospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 148797222
tert-butyl 2-chloro-6-(oxomethylidene)spiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 153560328
(4S)-4-(tert-butylsulfinylamino)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid
CID 155089444
(6R)-6-(tert-butylsulfinylamino)-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid
CID 155164078
(6S)-6-(tert-butylsulfinylamino)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid
CID 155164229
Tert-butyl spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 155180015
tert-butyl (6Z)-6-[(R)-tert-butylsulfinyl]imino-2-methylspiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 155623250
tert-butyl (6Z)-6-[(S)-tert-butylsulfinyl]imino-2-methylspiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 155623279

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid (CID 175736621) is 2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid is CN(C)Cc1nc2c(s1)CC1(CCN(C(=O)O)CC1)C2.
What is the InChIKey of 2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid?
The InChIKey is ZYDBEFKUNJVSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-16(2)9-12-15-10-7-14(8-11(10)20-12)3-5-17(6-4-14)13(18)19/h3-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid?
2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid has a molecular weight of 295.41 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 175736621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).