1-(4-aminophenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone

C16H13N3OS — CID 82067010

IUPAC1-(4-aminophenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone
SMILESNc1ccc(C(=O)Cc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C16H13N3OS/c17-12-6-4-11(5-7-12)15(20)9-16-19-14(10-21-16)13-3-1-2-8-18-13/h1-8,10H,9,17H2
InChIKeyUZPSLLVIOCNSIT-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.21
Rot. Bonds4

About 1-(4-aminophenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone

1-(4-aminophenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone (PubChem CID 82067010) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone
PubChem CID82067010
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name1-(4-aminophenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone
SMILESNc1ccc(C(=O)Cc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C16H13N3OS/c17-12-6-4-11(5-7-12)15(20)9-16-19-14(10-21-16)13-3-1-2-8-18-13/h1-8,10H,9,17H2
InChIKeyUZPSLLVIOCNSIT-UHFFFAOYSA-N
XLogP3.21
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanoic acid
CID 116969262
2,2-dimethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanoic acid
CID 116965801
2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone
CID 112731528
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317549
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119882653
2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone
CID 63199105
2-(methoxymethyl)-4-pyridin-2-yl-1,3-thiazole
CID 116969991
ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate
CID 110317930
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
1-(2-chloro-4-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 112731541
1-(4-methylphenyl)-2-(2-pyridin-2-ylthiophen-3-yl)ethanone
CID 150487312

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(4-aminophenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone (CID 82067010) is 1-(4-aminophenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-aminophenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(4-aminophenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone is Nc1ccc(C(=O)Cc2nc(-c3ccccn3)cs2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone?
The InChIKey is UZPSLLVIOCNSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c17-12-6-4-11(5-7-12)15(20)9-16-19-14(10-21-16)13-3-1-2-8-18-13/h1-8,10H,9,17H2.
What are the key properties of 1-(4-aminophenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone?
1-(4-aminophenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone has a molecular weight of 295.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 82067010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).