2-tert-butyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide

C15H19N3O2S — CID 47725707

IUPAC2-tert-butyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCCn1cc(NC(=O)c2cnc(C(C)(C)C)s2)ccc1=O
InChIInChI=1S/C15H19N3O2S/c1-5-18-9-10(6-7-12(18)19)17-13(20)11-8-16-14(21-11)15(2,3)4/h6-9H,5H2,1-4H3,(H,17,20)
InChIKeyYMZNPVUPBHODPZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.87
Rot. Bonds3

About 2-tert-butyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide

2-tert-butyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide (PubChem CID 47725707) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-tert-butyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
PubChem CID47725707
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-tert-butyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCCn1cc(NC(=O)c2cnc(C(C)(C)C)s2)ccc1=O
InChIInChI=1S/C15H19N3O2S/c1-5-18-9-10(6-7-12(18)19)17-13(20)11-8-16-14(21-11)15(2,3)4/h6-9H,5H2,1-4H3,(H,17,20)
InChIKeyYMZNPVUPBHODPZ-UHFFFAOYSA-N
XLogP2.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide (CID 47725707) is 2-tert-butyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide is CCn1cc(NC(=O)c2cnc(C(C)(C)C)s2)ccc1=O.
What is the InChIKey of 2-tert-butyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YMZNPVUPBHODPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-5-18-9-10(6-7-12(18)19)17-13(20)11-8-16-14(21-11)15(2,3)4/h6-9H,5H2,1-4H3,(H,17,20).
What are the key properties of 2-tert-butyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47725707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).