7-phenyl-1-(5-pyridin-2-yl-1,3-thiazol-2-yl)heptan-1-one

C21H22N2OS — CID 24950364

IUPAC7-phenyl-1-(5-pyridin-2-yl-1,3-thiazol-2-yl)heptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1ncc(-c2ccccn2)s1
InChIInChI=1S/C21H22N2OS/c24-19(14-7-2-1-4-10-17-11-5-3-6-12-17)21-23-16-20(25-21)18-13-8-9-15-22-18/h3,5-6,8-9,11-13,15-16H,1-2,4,7,10,14H2
InChIKeyLZTBJOAFQKXUPP-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.58
Rot. Bonds9

About 7-phenyl-1-(5-pyridin-2-yl-1,3-thiazol-2-yl)heptan-1-one

7-phenyl-1-(5-pyridin-2-yl-1,3-thiazol-2-yl)heptan-1-one (PubChem CID 24950364) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 7-phenyl-1-(5-pyridin-2-yl-1,3-thiazol-2-yl)heptan-1-one.

Molecular Properties

Compound Name7-phenyl-1-(5-pyridin-2-yl-1,3-thiazol-2-yl)heptan-1-one
PubChem CID24950364
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name7-phenyl-1-(5-pyridin-2-yl-1,3-thiazol-2-yl)heptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1ncc(-c2ccccn2)s1
InChIInChI=1S/C21H22N2OS/c24-19(14-7-2-1-4-10-17-11-5-3-6-12-17)21-23-16-20(25-21)18-13-8-9-15-22-18/h3,5-6,8-9,11-13,15-16H,1-2,4,7,10,14H2
InChIKeyLZTBJOAFQKXUPP-UHFFFAOYSA-N
XLogP5.58
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 701015
4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine
CID 11277481
7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-thiadiazol-2-yl)-heptan-1-one
CID 24951316
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-butyramide
CID 6487931
4-(2-Ethyl-4-m-tolyl-thiazol-5-yl)-2-methyl-pyridine
CID 11551077
4-(4-Phenyl-1,3-thiazol-2-yl)-2-propylpyridine
CID 619958
4-Phenyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 90643523
1-[2-[5-(Aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 137655300
5-[4-Methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyridine-2-carboxamide
CID 137662140
6-(2-(7-Phenylheptanoyl)thiazol-5-yl)-picolinic Acid
CID 24950523
2-(2-Ethyl-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
CID 25013390

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1-(5-pyridin-2-yl-1,3-thiazol-2-yl)heptan-1-one?
The IUPAC name of 7-phenyl-1-(5-pyridin-2-yl-1,3-thiazol-2-yl)heptan-1-one (CID 24950364) is 7-phenyl-1-(5-pyridin-2-yl-1,3-thiazol-2-yl)heptan-1-one.
What is the SMILES notation for 7-phenyl-1-(5-pyridin-2-yl-1,3-thiazol-2-yl)heptan-1-one?
The canonical SMILES for 7-phenyl-1-(5-pyridin-2-yl-1,3-thiazol-2-yl)heptan-1-one is O=C(CCCCCCc1ccccc1)c1ncc(-c2ccccn2)s1.
What is the InChIKey of 7-phenyl-1-(5-pyridin-2-yl-1,3-thiazol-2-yl)heptan-1-one?
The InChIKey is LZTBJOAFQKXUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c24-19(14-7-2-1-4-10-17-11-5-3-6-12-17)21-23-16-20(25-21)18-13-8-9-15-22-18/h3,5-6,8-9,11-13,15-16H,1-2,4,7,10,14H2.
What are the key properties of 7-phenyl-1-(5-pyridin-2-yl-1,3-thiazol-2-yl)heptan-1-one?
7-phenyl-1-(5-pyridin-2-yl-1,3-thiazol-2-yl)heptan-1-one has a molecular weight of 350.49 g/mol, XLogP of 5.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1-(5-pyridin-2-yl-1,3-thiazol-2-yl)heptan-1-one is sourced from PubChem (CID 24950364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).