5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid

C12H14N4O2S — CID 81439783

IUPAC5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
SMILESCCC(Nc1ncc(C(=O)O)cc1N)c1nccs1
InChIInChI=1S/C12H14N4O2S/c1-2-9(11-14-3-4-19-11)16-10-8(13)5-7(6-15-10)12(17)18/h3-6,9H,2,13H2,1H3,(H,15,16)(H,17,18)
InChIKeyAQWJHWPAZXAJII-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.38
Rot. Bonds5

About 5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid

5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid (PubChem CID 81439783) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
PubChem CID81439783
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
SMILESCCC(Nc1ncc(C(=O)O)cc1N)c1nccs1
InChIInChI=1S/C12H14N4O2S/c1-2-9(11-14-3-4-19-11)16-10-8(13)5-7(6-15-10)12(17)18/h3-6,9H,2,13H2,1H3,(H,15,16)(H,17,18)
InChIKeyAQWJHWPAZXAJII-UHFFFAOYSA-N
XLogP2.38
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-6-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 114129018
2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid
CID 80572399
6-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 81244022
2-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]benzoic acid
CID 81282204
2-amino-3-fluoro-6-[1-(1,3-thiazol-2-yl)propylamino]benzoic acid
CID 83207195
5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid
CID 106028468
5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 103113348
4-[2-[1-(1,3-thiazol-2-yl)propylamino]ethoxy]benzoic acid
CID 103253905
2,2-dimethyl-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 79624178
5-amino-6-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81439435
4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80837709
2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid
CID 83041635

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid (CID 81439783) is 5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid is CCC(Nc1ncc(C(=O)O)cc1N)c1nccs1.
What is the InChIKey of 5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid?
The InChIKey is AQWJHWPAZXAJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-2-9(11-14-3-4-19-11)16-10-8(13)5-7(6-15-10)12(17)18/h3-6,9H,2,13H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid?
5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid has a molecular weight of 278.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81439783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).