2-(4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide

C16H12FN3OS — CID 18581471

IUPAC2-(4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H12FN3OS/c17-13-3-1-11(2-4-13)9-15(21)20-16-19-14(10-22-16)12-5-7-18-8-6-12/h1-8,10H,9H2,(H,19,20,21)
InChIKeyWHHHWMFTWJQWLQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.53
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide

2-(4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 18581471) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
PubChem CID18581471
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC Name2-(4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H12FN3OS/c17-13-3-1-11(2-4-13)9-15(21)20-16-19-14(10-22-16)12-5-7-18-8-6-12/h1-8,10H,9H2,(H,19,20,21)
InChIKeyWHHHWMFTWJQWLQ-UHFFFAOYSA-N
XLogP3.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide (CID 18581471) is 2-(4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide is O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccncc2)cs1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is WHHHWMFTWJQWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS/c17-13-3-1-11(2-4-13)9-15(21)20-16-19-14(10-22-16)12-5-7-18-8-6-12/h1-8,10H,9H2,(H,19,20,21).
What are the key properties of 2-(4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?
2-(4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 313.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 18581471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).