N-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethoxypyridine-3-carboxamide

C15H19N3O2S — CID 2450368

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H19N3O2S/c1-5-20-13-10(7-6-8-16-13)12(19)18-14-17-11(9-21-14)15(2,3)4/h6-9H,5H2,1-4H3,(H,17,18,19)
InChIKeyFACLJBWVSQTARG-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.49
Rot. Bonds4

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethoxypyridine-3-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethoxypyridine-3-carboxamide (PubChem CID 2450368) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethoxypyridine-3-carboxamide
PubChem CID2450368
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H19N3O2S/c1-5-20-13-10(7-6-8-16-13)12(19)18-14-17-11(9-21-14)15(2,3)4/h6-9H,5H2,1-4H3,(H,17,18,19)
InChIKeyFACLJBWVSQTARG-UHFFFAOYSA-N
XLogP3.49
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethoxypyridine-3-carboxamide (CID 2450368) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1nc(C(C)(C)C)cs1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethoxypyridine-3-carboxamide?
The InChIKey is FACLJBWVSQTARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-5-20-13-10(7-6-8-16-13)12(19)18-14-17-11(9-21-14)15(2,3)4/h6-9H,5H2,1-4H3,(H,17,18,19).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethoxypyridine-3-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethoxypyridine-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 2450368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).