2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid

C14H21N3O2S — CID 62754496

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C14H21N3O2S/c18-13(19)12-10-15-14(20-12)17-8-4-11(5-9-17)16-6-2-1-3-7-16/h10-11H,1-9H2,(H,18,19)
InChIKeyNZRDVQDCMWYMOU-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.30
Rot. Bonds3

About 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid

2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 62754496) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID62754496
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C14H21N3O2S/c18-13(19)12-10-15-14(20-12)17-8-4-11(5-9-17)16-6-2-1-3-7-16/h10-11H,1-9H2,(H,18,19)
InChIKeyNZRDVQDCMWYMOU-UHFFFAOYSA-N
XLogP2.30
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Morpholin-4-yl)-1,3-thiazole-5-carboxylic acid
CID 15475835
2-(Pyrrolidin-1-yl)thiazole-5-carboxylic acid
CID 24229715
2-(Dimethylamino)-1,3-thiazole-5-carboxylic acid
CID 62753131
2-(4-Methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid dihydrochloride
CID 54595164
2-(4-Methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62752431
2-{2-Azabicyclo[2.2.1]heptan-2-yl}-1,3-thiazole-5-carboxylic acid
CID 62753997
2-(4-Methyl-1-piperazinyl)-5-thiazolecarboxylic acid
CID 54595165
2-[(3R)-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 143277520
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62754675
2-[Ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62754676
2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62754677
2-[Propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62754856

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (CID 62754496) is 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(N2CCC(N3CCCCC3)CC2)s1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is NZRDVQDCMWYMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c18-13(19)12-10-15-14(20-12)17-8-4-11(5-9-17)16-6-2-1-3-7-16/h10-11H,1-9H2,(H,18,19).
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 295.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62754496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).