2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-2-thiophen-2-ylacetamide

C12H12ClN3OS — CID 114049418

IUPAC2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-2-thiophen-2-ylacetamide
SMILESCc1cc(NC(=O)C(N)c2cccs2)cnc1Cl
InChIInChI=1S/C12H12ClN3OS/c1-7-5-8(6-15-11(7)13)16-12(17)10(14)9-3-2-4-18-9/h2-6,10H,14H2,1H3,(H,16,17)
InChIKeyJTKZNRYQEDMDPI-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.74
Rot. Bonds3

About 2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-2-thiophen-2-ylacetamide

2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-2-thiophen-2-ylacetamide (PubChem CID 114049418) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-2-thiophen-2-ylacetamide
PubChem CID114049418
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-2-thiophen-2-ylacetamide
SMILESCc1cc(NC(=O)C(N)c2cccs2)cnc1Cl
InChIInChI=1S/C12H12ClN3OS/c1-7-5-8(6-15-11(7)13)16-12(17)10(14)9-3-2-4-18-9/h2-6,10H,14H2,1H3,(H,16,17)
InChIKeyJTKZNRYQEDMDPI-UHFFFAOYSA-N
XLogP2.74
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-3-phenylpropanamide
CID 103797011
2-amino-N-phenyl-2-thiophen-2-ylacetamide
CID 115285801
2-amino-2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)acetamide
CID 115285827
2-amino-N-(4-fluorophenyl)-2-thiophen-2-ylacetamide
CID 115285922
2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid
CID 107340921
N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbutanamide
CID 103730347
2-amino-2-thiophen-2-yl-N-thiophen-3-ylacetamide
CID 115287455
N-(6-chloro-5-methyl-3-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 106741523
2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide
CID 115285851
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 104618474
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide
CID 115286986
N-(6-chloro-5-methyl-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
CID 103811557

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-2-thiophen-2-ylacetamide (CID 114049418) is 2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-2-thiophen-2-ylacetamide is Cc1cc(NC(=O)C(N)c2cccs2)cnc1Cl.
What is the InChIKey of 2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-2-thiophen-2-ylacetamide?
The InChIKey is JTKZNRYQEDMDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-7-5-8(6-15-11(7)13)16-12(17)10(14)9-3-2-4-18-9/h2-6,10H,14H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-2-thiophen-2-ylacetamide?
2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-2-thiophen-2-ylacetamide has a molecular weight of 281.77 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 114049418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).