4-(thiolan-3-ylamino)pyridine-2-carboxylic acid

C10H12N2O2S — CID 103063321

IUPAC4-(thiolan-3-ylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NC2CCSC2)ccn1
InChIInChI=1S/C10H12N2O2S/c13-10(14)9-5-7(1-3-11-9)12-8-2-4-15-6-8/h1,3,5,8H,2,4,6H2,(H,11,12)(H,13,14)
InChIKeyPZBLOCZCWXAQMX-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.70
Rot. Bonds3

About 4-(thiolan-3-ylamino)pyridine-2-carboxylic acid

4-(thiolan-3-ylamino)pyridine-2-carboxylic acid (PubChem CID 103063321) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-(thiolan-3-ylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(thiolan-3-ylamino)pyridine-2-carboxylic acid
PubChem CID103063321
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name4-(thiolan-3-ylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NC2CCSC2)ccn1
InChIInChI=1S/C10H12N2O2S/c13-10(14)9-5-7(1-3-11-9)12-8-2-4-15-6-8/h1,3,5,8H,2,4,6H2,(H,11,12)(H,13,14)
InChIKeyPZBLOCZCWXAQMX-UHFFFAOYSA-N
XLogP1.70
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 43143066
4-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid
CID 107853442
4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid
CID 61465381
2-chloro-5-(thiolan-3-ylamino)benzoic acid
CID 43736227
4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 64749962
3-chloro-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid
CID 107063139
4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 103064661
4-[(1-methylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 43517657
3-(thian-4-ylamino)benzoic acid
CID 43511387
4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109201896
methyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate
CID 79110249
2-[(thiolan-3-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 103064162

Frequently Asked Questions

What is the IUPAC name of 4-(thiolan-3-ylamino)pyridine-2-carboxylic acid?
The IUPAC name of 4-(thiolan-3-ylamino)pyridine-2-carboxylic acid (CID 103063321) is 4-(thiolan-3-ylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(thiolan-3-ylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(thiolan-3-ylamino)pyridine-2-carboxylic acid is O=C(O)c1cc(NC2CCSC2)ccn1.
What is the InChIKey of 4-(thiolan-3-ylamino)pyridine-2-carboxylic acid?
The InChIKey is PZBLOCZCWXAQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c13-10(14)9-5-7(1-3-11-9)12-8-2-4-15-6-8/h1,3,5,8H,2,4,6H2,(H,11,12)(H,13,14).
What are the key properties of 4-(thiolan-3-ylamino)pyridine-2-carboxylic acid?
4-(thiolan-3-ylamino)pyridine-2-carboxylic acid has a molecular weight of 224.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiolan-3-ylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 103063321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).