5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylic acid

C13H16N4O2S — CID 114405911

IUPAC5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylic acid
SMILESCc1nc(C)c(C(C)Nc2nc(C(=O)O)ccc2N)s1
InChIInChI=1S/C13H16N4O2S/c1-6-11(20-8(3)15-6)7(2)16-12-9(14)4-5-10(17-12)13(18)19/h4-5,7H,14H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyOLAVRYQFGZOJAA-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.61
Rot. Bonds4

About 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylic acid

5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylic acid (PubChem CID 114405911) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylic acid
PubChem CID114405911
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylic acid
SMILESCc1nc(C)c(C(C)Nc2nc(C(=O)O)ccc2N)s1
InChIInChI=1S/C13H16N4O2S/c1-6-11(20-8(3)15-6)7(2)16-12-9(14)4-5-10(17-12)13(18)19/h4-5,7H,14H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyOLAVRYQFGZOJAA-UHFFFAOYSA-N
XLogP2.61
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxamide
CID 114405909
methyl 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylate
CID 114405910
5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
CID 114406914
3-chloro-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-4-carboxylic acid
CID 107061996
5-amino-6-(3-ethylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 114406677
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbenzoic acid
CID 107111939
4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3,5-difluorobenzoic acid
CID 63185492
2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,4-difluorobenzene-1,2-diamine
CID 62532682
2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide
CID 115545340
4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80808190
5-bromo-2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,3-diamine
CID 54964038
5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 114407683

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylic acid (CID 114405911) is 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylic acid is Cc1nc(C)c(C(C)Nc2nc(C(=O)O)ccc2N)s1.
What is the InChIKey of 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is OLAVRYQFGZOJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-6-11(20-8(3)15-6)7(2)16-12-9(14)4-5-10(17-12)13(18)19/h4-5,7H,14H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylic acid?
5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114405911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).