2-(2-ethylanilino)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

C19H20N4OS — CID 53365480

IUPAC2-(2-ethylanilino)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCc1ccccc1Nc1nc(C)c(C(=O)NCc2cccnc2)s1
InChIInChI=1S/C19H20N4OS/c1-3-15-8-4-5-9-16(15)23-19-22-13(2)17(25-19)18(24)21-12-14-7-6-10-20-11-14/h4-11H,3,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyBTZHYNCUYYJXLS-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.08
Rot. Bonds6

About 2-(2-ethylanilino)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

2-(2-ethylanilino)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 53365480) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(2-ethylanilino)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-ethylanilino)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID53365480
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name2-(2-ethylanilino)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCc1ccccc1Nc1nc(C)c(C(=O)NCc2cccnc2)s1
InChIInChI=1S/C19H20N4OS/c1-3-15-8-4-5-9-16(15)23-19-22-13(2)17(25-19)18(24)21-12-14-7-6-10-20-11-14/h4-11H,3,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyBTZHYNCUYYJXLS-UHFFFAOYSA-N
XLogP4.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-ethylanilino)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 53365480) is 2-(2-ethylanilino)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-ethylanilino)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-ethylanilino)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is CCc1ccccc1Nc1nc(C)c(C(=O)NCc2cccnc2)s1.
What is the InChIKey of 2-(2-ethylanilino)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BTZHYNCUYYJXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-3-15-8-4-5-9-16(15)23-19-22-13(2)17(25-19)18(24)21-12-14-7-6-10-20-11-14/h4-11H,3,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-(2-ethylanilino)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
2-(2-ethylanilino)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53365480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).