2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide

C13H16N4OS — CID 119882616

IUPAC2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCNCC(=O)NCCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C13H16N4OS/c1-14-8-12(18)16-7-5-13-17-11(9-19-13)10-4-2-3-6-15-10/h2-4,6,9,14H,5,7-8H2,1H3,(H,16,18)
InChIKeyQELFDKDYKWGFDQ-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.08
Rot. Bonds6

About 2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide

2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 119882616) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID119882616
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCNCC(=O)NCCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C13H16N4OS/c1-14-8-12(18)16-7-5-13-17-11(9-19-13)10-4-2-3-6-15-10/h2-4,6,9,14H,5,7-8H2,1H3,(H,16,18)
InChIKeyQELFDKDYKWGFDQ-UHFFFAOYSA-N
XLogP1.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N4-benzyl-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824333
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-acetamide
CID 884114
3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2594420
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-butyramide
CID 6487931
N-(2,4-difluorophenyl)-2-(4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 1483698
2-Methyl-5-(pyridin-3-ylamino)-thiazole-4-carboxylic acid (2-methyl-pyridin-4-yl)-amide
CID 11638418
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 84462506
N'-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carbohydrazide
CID 168149859
N,4-dimethyl-2-(2-pyridinyl)-1,3-thiazole-5-carboxamide
CID 3748085
N-phenyl-2-(pyridin-3-yl)-1,3-thiazole-4-carboxamide
CID 44450195
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 11588744
2-Methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 18144733

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide (CID 119882616) is 2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide is CNCC(=O)NCCc1nc(-c2ccccn2)cs1.
What is the InChIKey of 2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is QELFDKDYKWGFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-14-8-12(18)16-7-5-13-17-11(9-19-13)10-4-2-3-6-15-10/h2-4,6,9,14H,5,7-8H2,1H3,(H,16,18).
What are the key properties of 2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide?
2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 276.37 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 119882616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).