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

C13H16N4OS — CID 66389821

IUPAC2-(1-aminoethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)N(C)Cc2ccccn2)cs1
InChIInChI=1S/C13H16N4OS/c1-9(14)12-16-11(8-19-12)13(18)17(2)7-10-5-3-4-6-15-10/h3-6,8-9H,7,14H2,1-2H3
InChIKeyMZWJMYYABIVXHR-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.83
Rot. Bonds4

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

2-(1-aminoethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 66389821) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID66389821
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name2-(1-aminoethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)N(C)Cc2ccccn2)cs1
InChIInChI=1S/C13H16N4OS/c1-9(14)12-16-11(8-19-12)13(18)17(2)7-10-5-3-4-6-15-10/h3-6,8-9H,7,14H2,1-2H3
InChIKeyMZWJMYYABIVXHR-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminoethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390687
2-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66388886
2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide
CID 66388279
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 11443975
2-(1-aminoethyl)-N-butyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 66388418
CID 69258575
CID 69258575
4-amino-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43564701
potassium;hydride;N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 173152580
2-[ethyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569601
6-hydrazinyl-N-methyl-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 62243774
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone
CID 116585747
2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide
CID 66374374

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 66389821) is 2-(1-aminoethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)N(C)Cc2ccccn2)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MZWJMYYABIVXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9(14)12-16-11(8-19-12)13(18)17(2)7-10-5-3-4-6-15-10/h3-6,8-9H,7,14H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66389821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).