N-[[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide

C20H15FN2OS2 — CID 46943081

IUPACN-[[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide
SMILESCC(=O)NC(c1cccc(F)c1)c1nc(-c2csc3ccccc23)cs1
InChIInChI=1S/C20H15FN2OS2/c1-12(24)22-19(13-5-4-6-14(21)9-13)20-23-17(11-26-20)16-10-25-18-8-3-2-7-15(16)18/h2-11,19H,1H3,(H,22,24)
InChIKeyRKDXQFSNDZNBGB-UHFFFAOYSA-N
MW382.49 g/mol
LogP5.39
Rot. Bonds4

About N-[[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide

N-[[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide (PubChem CID 46943081) has the molecular formula C20H15FN2OS2 and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide
PubChem CID46943081
Molecular FormulaC20H15FN2OS2
Molecular Weight382.49 g/mol
Exact Mass382.06
IUPAC NameN-[[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide
SMILESCC(=O)NC(c1cccc(F)c1)c1nc(-c2csc3ccccc23)cs1
InChIInChI=1S/C20H15FN2OS2/c1-12(24)22-19(13-5-4-6-14(21)9-13)20-23-17(11-26-20)16-10-25-18-8-3-2-7-15(16)18/h2-11,19H,1H3,(H,22,24)
InChIKeyRKDXQFSNDZNBGB-UHFFFAOYSA-N
XLogP5.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide?
The IUPAC name of N-[[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide (CID 46943081) is N-[[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-[[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-[[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide is CC(=O)NC(c1cccc(F)c1)c1nc(-c2csc3ccccc23)cs1.
What is the InChIKey of N-[[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide?
The InChIKey is RKDXQFSNDZNBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2OS2/c1-12(24)22-19(13-5-4-6-14(21)9-13)20-23-17(11-26-20)16-10-25-18-8-3-2-7-15(16)18/h2-11,19H,1H3,(H,22,24).
What are the key properties of N-[[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide?
N-[[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide has a molecular weight of 382.49 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 46943081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).