2-(pyridin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

C13H12N2O2S — CID 113395633

IUPAC2-(pyridin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
SMILESO=C(O)C1CCc2sc(Cc3ccccn3)nc21
InChIInChI=1S/C13H12N2O2S/c16-13(17)9-4-5-10-12(9)15-11(18-10)7-8-3-1-2-6-14-8/h1-3,6,9H,4-5,7H2,(H,16,17)
InChIKeyYYNPOGQWZCINQV-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.24
Rot. Bonds3

About 2-(pyridin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

2-(pyridin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid (PubChem CID 113395633) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(pyridin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
PubChem CID113395633
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name2-(pyridin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
SMILESO=C(O)C1CCc2sc(Cc3ccccn3)nc21
InChIInChI=1S/C13H12N2O2S/c16-13(17)9-4-5-10-12(9)15-11(18-10)7-8-3-1-2-6-14-8/h1-3,6,9H,4-5,7H2,(H,16,17)
InChIKeyYYNPOGQWZCINQV-UHFFFAOYSA-N
XLogP2.24
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975922
2-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395559
2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 104592490
2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 107935405
2-(6-methoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 114937608
N-[[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362524
2-benzylpyridine;(Z)-but-2-enedioic acid
CID 5356234
4-[3-[4-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]phenyl]benzoic acid
CID 162757195
1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362289
5-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-4-amine
CID 83107325
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
(2R,3S)-3-(pyridin-2-ylmethylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 40635560

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The IUPAC name of 2-(pyridin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid (CID 113395633) is 2-(pyridin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(pyridin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The canonical SMILES for 2-(pyridin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid is O=C(O)C1CCc2sc(Cc3ccccn3)nc21.
What is the InChIKey of 2-(pyridin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The InChIKey is YYNPOGQWZCINQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c16-13(17)9-4-5-10-12(9)15-11(18-10)7-8-3-1-2-6-14-8/h1-3,6,9H,4-5,7H2,(H,16,17).
What are the key properties of 2-(pyridin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
2-(pyridin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid has a molecular weight of 260.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid is sourced from PubChem (CID 113395633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).