2-(3-fluoro-2-pyridinyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide

C20H20FN3O2S — CID 166281043

IUPAC2-(3-fluoro-2-pyridinyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCC(CCc1ccc(O)cc1)N(C)C(=O)c1csc(-c2ncccc2F)n1
InChIInChI=1S/C20H20FN3O2S/c1-13(5-6-14-7-9-15(25)10-8-14)24(2)20(26)17-12-27-19(23-17)18-16(21)4-3-11-22-18/h3-4,7-13,25H,5-6H2,1-2H3
InChIKeySBCKDWJPDKQQDR-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.14
Rot. Bonds6

About 2-(3-fluoro-2-pyridinyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide

2-(3-fluoro-2-pyridinyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 166281043) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID166281043
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name2-(3-fluoro-2-pyridinyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCC(CCc1ccc(O)cc1)N(C)C(=O)c1csc(-c2ncccc2F)n1
InChIInChI=1S/C20H20FN3O2S/c1-13(5-6-14-7-9-15(25)10-8-14)24(2)20(26)17-12-27-19(23-17)18-16(21)4-3-11-22-18/h3-4,7-13,25H,5-6H2,1-2H3
InChIKeySBCKDWJPDKQQDR-UHFFFAOYSA-N
XLogP4.14
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-fluoro-2-pyridinyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide 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-(3-fluoro-2-pyridinyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide (CID 166281043) is 2-(3-fluoro-2-pyridinyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide is CC(CCc1ccc(O)cc1)N(C)C(=O)c1csc(-c2ncccc2F)n1.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is SBCKDWJPDKQQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-13(5-6-14-7-9-15(25)10-8-14)24(2)20(26)17-12-27-19(23-17)18-16(21)4-3-11-22-18/h3-4,7-13,25H,5-6H2,1-2H3.
What are the key properties of 2-(3-fluoro-2-pyridinyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide?
2-(3-fluoro-2-pyridinyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-pyridinyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166281043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).