2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid

C12H16N2O2S — CID 175736606

IUPAC2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid
SMILESCc1nc2c(s1)CC1(CCN(C(=O)O)CC1)C2
InChIInChI=1S/C12H16N2O2S/c1-8-13-9-6-12(7-10(9)17-8)2-4-14(5-3-12)11(15)16/h2-7H2,1H3,(H,15,16)
InChIKeyPFHYHQWJJOIXMS-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.31
Rot. Bonds

About 2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid

2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid (PubChem CID 175736606) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid
PubChem CID175736606
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid
SMILESCc1nc2c(s1)CC1(CCN(C(=O)O)CC1)C2
InChIInChI=1S/C12H16N2O2S/c1-8-13-9-6-12(7-10(9)17-8)2-4-14(5-3-12)11(15)16/h2-7H2,1H3,(H,15,16)
InChIKeyPFHYHQWJJOIXMS-UHFFFAOYSA-N
XLogP2.31
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid (CID 175736606) is 2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid is Cc1nc2c(s1)CC1(CCN(C(=O)O)CC1)C2.
What is the InChIKey of 2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid?
The InChIKey is PFHYHQWJJOIXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8-13-9-6-12(7-10(9)17-8)2-4-14(5-3-12)11(15)16/h2-7H2,1H3,(H,15,16).
What are the key properties of 2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid?
2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid has a molecular weight of 252.34 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 175736606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).