2-butan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide

C13H15N3O2S — CID 84597082

IUPAC2-butan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCCC(C)Oc1cc(C(=O)Nc2nccs2)ccn1
InChIInChI=1S/C13H15N3O2S/c1-3-9(2)18-11-8-10(4-5-14-11)12(17)16-13-15-6-7-19-13/h4-9H,3H2,1-2H3,(H,15,16,17)
InChIKeyMZWXQEIPAQXGQM-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.97
Rot. Bonds5

About 2-butan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide

2-butan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide (PubChem CID 84597082) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-butan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-butan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
PubChem CID84597082
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-butan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCCC(C)Oc1cc(C(=O)Nc2nccs2)ccn1
InChIInChI=1S/C13H15N3O2S/c1-3-9(2)18-11-8-10(4-5-14-11)12(17)16-13-15-6-7-19-13/h4-9H,3H2,1-2H3,(H,15,16,17)
InChIKeyMZWXQEIPAQXGQM-UHFFFAOYSA-N
XLogP2.97
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 2091502
3-ethoxy-N-(2-thiazolyl)benzamide
CID 792393
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethoxypyridine-3-carboxamide
CID 2450368
4-Methoxy-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 44391567
3-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 5225043
4-[(4-chloro-2-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155530940
4-[(6-chloro-2-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155553594
3-pyridin-3-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 72375743
4-Benzyloxy-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 44391500
2-acetamido-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 45827857
2-(2-methoxyethoxy)-N-methyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 56782811
2-butan-2-yloxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
CID 84597901

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-butan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide (CID 84597082) is 2-butan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-butan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-butan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide is CCC(C)Oc1cc(C(=O)Nc2nccs2)ccn1.
What is the InChIKey of 2-butan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is MZWXQEIPAQXGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-9(2)18-11-8-10(4-5-14-11)12(17)16-13-15-6-7-19-13/h4-9H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 2-butan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide?
2-butan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 84597082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).