2-[6-(4-fluorophenyl)-3-pyridinyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide

C18H14FN3OS — CID 24987525

IUPAC2-[6-(4-fluorophenyl)-3-pyridinyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nccs1)C1CC1c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C18H14FN3OS/c19-13-4-1-11(2-5-13)16-6-3-12(10-21-16)14-9-15(14)17(23)22-18-20-7-8-24-18/h1-8,10,14-15H,9H2,(H,20,22,23)
InChIKeyKCXNMYCSNRODQT-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.09
Rot. Bonds4

About 2-[6-(4-fluorophenyl)-3-pyridinyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide

2-[6-(4-fluorophenyl)-3-pyridinyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 24987525) has the molecular formula C18H14FN3OS and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)-3-pyridinyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)-3-pyridinyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID24987525
Molecular FormulaC18H14FN3OS
Molecular Weight339.40 g/mol
Exact Mass339.08
IUPAC Name2-[6-(4-fluorophenyl)-3-pyridinyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nccs1)C1CC1c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C18H14FN3OS/c19-13-4-1-11(2-5-13)16-6-3-12(10-21-16)14-9-15(14)17(23)22-18-20-7-8-24-18/h1-8,10,14-15H,9H2,(H,20,22,23)
InChIKeyKCXNMYCSNRODQT-UHFFFAOYSA-N
XLogP4.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)-3-pyridinyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-[6-(4-fluorophenyl)-3-pyridinyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 24987525) is 2-[6-(4-fluorophenyl)-3-pyridinyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[6-(4-fluorophenyl)-3-pyridinyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-[6-(4-fluorophenyl)-3-pyridinyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide is O=C(Nc1nccs1)C1CC1c1ccc(-c2ccc(F)cc2)nc1.
What is the InChIKey of 2-[6-(4-fluorophenyl)-3-pyridinyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is KCXNMYCSNRODQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3OS/c19-13-4-1-11(2-5-13)16-6-3-12(10-21-16)14-9-15(14)17(23)22-18-20-7-8-24-18/h1-8,10,14-15H,9H2,(H,20,22,23).
What are the key properties of 2-[6-(4-fluorophenyl)-3-pyridinyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
2-[6-(4-fluorophenyl)-3-pyridinyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)-3-pyridinyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 24987525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).