2-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-1,3-thiazole-5-carboxamide

C14H17N3O2S — CID 166247196

IUPAC2-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCc2ccc[nH]c2=O)s1
InChIInChI=1S/C14H17N3O2S/c1-14(2,3)13-17-8-10(20-13)12(19)16-7-9-5-4-6-15-11(9)18/h4-6,8H,7H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyGMXWMDBKHWYWNQ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.06
Rot. Bonds3

About 2-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 166247196) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID166247196
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCc2ccc[nH]c2=O)s1
InChIInChI=1S/C14H17N3O2S/c1-14(2,3)13-17-8-10(20-13)12(19)16-7-9-5-4-6-15-11(9)18/h4-6,8H,7H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyGMXWMDBKHWYWNQ-UHFFFAOYSA-N
XLogP2.06
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-1,3-thiazole-5-carboxamide (CID 166247196) is 2-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncc(C(=O)NCc2ccc[nH]c2=O)s1.
What is the InChIKey of 2-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GMXWMDBKHWYWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-14(2,3)13-17-8-10(20-13)12(19)16-7-9-5-4-6-15-11(9)18/h4-6,8H,7H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of 2-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166247196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).