2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-pyridin-2-ylacetamide

C17H16N4OS — CID 110450350

IUPAC2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-pyridin-2-ylacetamide
SMILESNCc1ccccc1-c1nc(CC(=O)Nc2ccccn2)cs1
InChIInChI=1S/C17H16N4OS/c18-10-12-5-1-2-6-14(12)17-20-13(11-23-17)9-16(22)21-15-7-3-4-8-19-15/h1-8,11H,9-10,18H2,(H,19,21,22)
InChIKeyKQSMEFYQPZWJCN-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.85
Rot. Bonds5

About 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-pyridin-2-ylacetamide

2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-pyridin-2-ylacetamide (PubChem CID 110450350) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-pyridin-2-ylacetamide
PubChem CID110450350
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-pyridin-2-ylacetamide
SMILESNCc1ccccc1-c1nc(CC(=O)Nc2ccccn2)cs1
InChIInChI=1S/C17H16N4OS/c18-10-12-5-1-2-6-14(12)17-20-13(11-23-17)9-16(22)21-15-7-3-4-8-19-15/h1-8,11H,9-10,18H2,(H,19,21,22)
InChIKeyKQSMEFYQPZWJCN-UHFFFAOYSA-N
XLogP2.85
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(2-fluorophenyl)acetamide
CID 110450485
2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
CID 110450334
2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide
CID 110450447
4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 26721108
N-(5-phenyl-2-pyridinyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55952825
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563450
2-(aminomethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 66377402
N-(3-acetylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 34829771
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 9399292
2-naphthalen-1-yl-N-pyridin-2-ylacetamide;hydrochloride
CID 163331171
N-(2-benzylsulfanylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563548

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-pyridin-2-ylacetamide (CID 110450350) is 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-pyridin-2-ylacetamide is NCc1ccccc1-c1nc(CC(=O)Nc2ccccn2)cs1.
What is the InChIKey of 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-pyridin-2-ylacetamide?
The InChIKey is KQSMEFYQPZWJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c18-10-12-5-1-2-6-14(12)17-20-13(11-23-17)9-16(22)21-15-7-3-4-8-19-15/h1-8,11H,9-10,18H2,(H,19,21,22).
What are the key properties of 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-pyridin-2-ylacetamide?
2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-pyridin-2-ylacetamide has a molecular weight of 324.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 110450350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).