2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid

C14H17N3O2S — CID 61477397

IUPAC2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCCc1nc(Nc2nc(C)cc(C)c2C(=O)O)sc1C
InChIInChI=1S/C14H17N3O2S/c1-5-10-9(4)20-14(16-10)17-12-11(13(18)19)7(2)6-8(3)15-12/h6H,5H2,1-4H3,(H,18,19)(H,15,16,17)
InChIKeyQUNZFSMZBDCPIQ-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.47
Rot. Bonds4

About 2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid

2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 61477397) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID61477397
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCCc1nc(Nc2nc(C)cc(C)c2C(=O)O)sc1C
InChIInChI=1S/C14H17N3O2S/c1-5-10-9(4)20-14(16-10)17-12-11(13(18)19)7(2)6-8(3)15-12/h6H,5H2,1-4H3,(H,18,19)(H,15,16,17)
InChIKeyQUNZFSMZBDCPIQ-UHFFFAOYSA-N
XLogP3.47
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid (CID 61477397) is 2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid is CCc1nc(Nc2nc(C)cc(C)c2C(=O)O)sc1C.
What is the InChIKey of 2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is QUNZFSMZBDCPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-5-10-9(4)20-14(16-10)17-12-11(13(18)19)7(2)6-8(3)15-12/h6H,5H2,1-4H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 291.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 61477397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).