[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-(5-hydroxy-4-methoxy-1-methylpyrrol-3-yl)methanone

C17H15FN2O3S — CID 90847780

IUPAC[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-(5-hydroxy-4-methoxy-1-methylpyrrol-3-yl)methanone
SMILESCOc1c(C(=O)c2ncc(Cc3ccc(F)cc3)s2)cn(C)c1O
InChIInChI=1S/C17H15FN2O3S/c1-20-9-13(15(23-2)17(20)22)14(21)16-19-8-12(24-16)7-10-3-5-11(18)6-4-10/h3-6,8-9,22H,7H2,1-2H3
InChIKeyJEQSHLFWGZONAZ-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.16
Rot. Bonds5

About [5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-(5-hydroxy-4-methoxy-1-methylpyrrol-3-yl)methanone

[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-(5-hydroxy-4-methoxy-1-methylpyrrol-3-yl)methanone (PubChem CID 90847780) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is [5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-(5-hydroxy-4-methoxy-1-methylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-(5-hydroxy-4-methoxy-1-methylpyrrol-3-yl)methanone
PubChem CID90847780
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-(5-hydroxy-4-methoxy-1-methylpyrrol-3-yl)methanone
SMILESCOc1c(C(=O)c2ncc(Cc3ccc(F)cc3)s2)cn(C)c1O
InChIInChI=1S/C17H15FN2O3S/c1-20-9-13(15(23-2)17(20)22)14(21)16-19-8-12(24-16)7-10-3-5-11(18)6-4-10/h3-6,8-9,22H,7H2,1-2H3
InChIKeyJEQSHLFWGZONAZ-UHFFFAOYSA-N
XLogP3.16
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-(5-hydroxy-4-methoxy-1-propan-2-ylpyrrol-3-yl)methanone
CID 91400158
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide
CID 55438043
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 1143617
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 60600982
3-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 55384796
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyanilino)acetamide
CID 4915065
3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5,7-dicarboxylic acid
CID 59696491
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxy-2-methylbutanamide
CID 167942186
3-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 17034915
7-(4-fluorobenzoyl)-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-5-carboxylic acid
CID 58762886
4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione
CID 91601177
4-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 17034994

Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-(5-hydroxy-4-methoxy-1-methylpyrrol-3-yl)methanone?
The IUPAC name of [5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-(5-hydroxy-4-methoxy-1-methylpyrrol-3-yl)methanone (CID 90847780) is [5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-(5-hydroxy-4-methoxy-1-methylpyrrol-3-yl)methanone.
What is the SMILES notation for [5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-(5-hydroxy-4-methoxy-1-methylpyrrol-3-yl)methanone?
The canonical SMILES for [5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-(5-hydroxy-4-methoxy-1-methylpyrrol-3-yl)methanone is COc1c(C(=O)c2ncc(Cc3ccc(F)cc3)s2)cn(C)c1O.
What is the InChIKey of [5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-(5-hydroxy-4-methoxy-1-methylpyrrol-3-yl)methanone?
The InChIKey is JEQSHLFWGZONAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-20-9-13(15(23-2)17(20)22)14(21)16-19-8-12(24-16)7-10-3-5-11(18)6-4-10/h3-6,8-9,22H,7H2,1-2H3.
What are the key properties of [5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-(5-hydroxy-4-methoxy-1-methylpyrrol-3-yl)methanone?
[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-(5-hydroxy-4-methoxy-1-methylpyrrol-3-yl)methanone has a molecular weight of 346.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-(5-hydroxy-4-methoxy-1-methylpyrrol-3-yl)methanone is sourced from PubChem (CID 90847780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).