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

C12H14N4O2S — CID 114129018

IUPAC5-amino-6-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
SMILESCC(CNc1ncc(C(=O)O)cc1N)c1nccs1
InChIInChI=1S/C12H14N4O2S/c1-7(11-14-2-3-19-11)5-15-10-9(13)4-8(6-16-10)12(17)18/h2-4,6-7H,5,13H2,1H3,(H,15,16)(H,17,18)
InChIKeyKMGHEZQRMBCKKF-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.03
Rot. Bonds5

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

5-amino-6-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid (PubChem CID 114129018) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 5-amino-6-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
PubChem CID114129018
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name5-amino-6-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
SMILESCC(CNc1ncc(C(=O)O)cc1N)c1nccs1
InChIInChI=1S/C12H14N4O2S/c1-7(11-14-2-3-19-11)5-15-10-9(13)4-8(6-16-10)12(17)18/h2-4,6-7H,5,13H2,1H3,(H,15,16)(H,17,18)
InChIKeyKMGHEZQRMBCKKF-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 81439783
5-amino-6-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81439435
5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-3-carboxylic acid
CID 114127035
4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic acid
CID 114127990
5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
CID 81439673
2-amino-2-[2-[2-(1,3-thiazol-2-yl)propylamino]-1,3-thiazol-4-yl]acetic acid
CID 114129193
5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid
CID 83115123
5-amino-6-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81439609
3-methyl-5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 104577326
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
3,3-dimethyl-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid
CID 104576296
4-fluoro-1-N-[2-(1,3-thiazol-2-yl)propyl]benzene-1,2-diamine
CID 114127004

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid (CID 114129018) is 5-amino-6-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid is CC(CNc1ncc(C(=O)O)cc1N)c1nccs1.
What is the InChIKey of 5-amino-6-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid?
The InChIKey is KMGHEZQRMBCKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-7(11-14-2-3-19-11)5-15-10-9(13)4-8(6-16-10)12(17)18/h2-4,6-7H,5,13H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-amino-6-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid?
5-amino-6-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid has a molecular weight of 278.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114129018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).