2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide

C19H18FN3O2S — CID 24764549

IUPAC2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)Cc2csc(-c3ccc(F)cc3)n2)nc1
InChIInChI=1S/C19H18FN3O2S/c1-12(17-8-7-16(25-2)10-21-17)22-18(24)9-15-11-26-19(23-15)13-3-5-14(20)6-4-13/h3-8,10-12H,9H2,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyPPYATJNLWWMEBU-GFCCVEGCSA-N
MW371.44 g/mol
LogP3.77
Rot. Bonds6

About 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide

2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide (PubChem CID 24764549) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
PubChem CID24764549
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)Cc2csc(-c3ccc(F)cc3)n2)nc1
InChIInChI=1S/C19H18FN3O2S/c1-12(17-8-7-16(25-2)10-21-17)22-18(24)9-15-11-26-19(23-15)13-3-5-14(20)6-4-13/h3-8,10-12H,9H2,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyPPYATJNLWWMEBU-GFCCVEGCSA-N
XLogP3.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide (CID 24764549) is 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide is COc1ccc([C@@H](C)NC(=O)Cc2csc(-c3ccc(F)cc3)n2)nc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide?
The InChIKey is PPYATJNLWWMEBU-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-12(17-8-7-16(25-2)10-21-17)22-18(24)9-15-11-26-19(23-15)13-3-5-14(20)6-4-13/h3-8,10-12H,9H2,1-2H3,(H,22,24)/t12-/m1/s1.
What are the key properties of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide?
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 24764549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).