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

C13H16N4OS — CID 55115723

IUPAC2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1sc(N)nc1C
InChIInChI=1S/C13H16N4OS/c1-3-17(8-10-4-6-15-7-5-10)12(18)11-9(2)16-13(14)19-11/h4-7H,3,8H2,1-2H3,(H2,14,16)
InChIKeyOWNAWZYTGLFVKO-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.09
Rot. Bonds4

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

2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 55115723) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID55115723
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1sc(N)nc1C
InChIInChI=1S/C13H16N4OS/c1-3-17(8-10-4-6-15-7-5-10)12(18)11-9(2)16-13(14)19-11/h4-7H,3,8H2,1-2H3,(H2,14,16)
InChIKeyOWNAWZYTGLFVKO-UHFFFAOYSA-N
XLogP2.09
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79379584
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CID 62792415
N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080817
3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
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CID 77097813
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyazepan-1-yl]methanone
CID 110123212
2-amino-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 673715
N-ethyl-N-(pyridin-4-ylmethyl)cyclohexene-1-carboxamide
CID 102234848
3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 61114914
N-(1,3-benzodioxol-5-ylmethyl)-2-(ethylamino)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 131947521
2-amino-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
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4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116669286

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide (CID 55115723) is 2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide is CCN(Cc1ccncc1)C(=O)c1sc(N)nc1C.
What is the InChIKey of 2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OWNAWZYTGLFVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-3-17(8-10-4-6-15-7-5-10)12(18)11-9(2)16-13(14)19-11/h4-7H,3,8H2,1-2H3,(H2,14,16).
What are the key properties of 2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55115723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).