N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propan-2-ylphenyl)acetamide

C18H16FN2OS- — CID 91200442

IUPACN-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propan-2-ylphenyl)acetamide
SMILESC[C-](C)c1cccc(CC(=O)Nc2ccc3ncsc3c2)c1F
InChIInChI=1S/C18H16FN2OS/c1-11(2)14-5-3-4-12(18(14)19)8-17(22)21-13-6-7-15-16(9-13)23-10-20-15/h3-7,9-10H,8H2,1-2H3,(H,21,22)/q-1
InChIKeyVHJXWBOGMMKMAE-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.58
Rot. Bonds4

About N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propan-2-ylphenyl)acetamide

N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propan-2-ylphenyl)acetamide (PubChem CID 91200442) has the molecular formula C18H16FN2OS- and a molecular weight of 327.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propan-2-ylphenyl)acetamide
PubChem CID91200442
Molecular FormulaC18H16FN2OS-
Molecular Weight327.40 g/mol
Exact Mass327.10
IUPAC NameN-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propan-2-ylphenyl)acetamide
SMILESC[C-](C)c1cccc(CC(=O)Nc2ccc3ncsc3c2)c1F
InChIInChI=1S/C18H16FN2OS/c1-11(2)14-5-3-4-12(18(14)19)8-17(22)21-13-6-7-15-16(9-13)23-10-20-15/h3-7,9-10H,8H2,1-2H3,(H,21,22)/q-1
InChIKeyVHJXWBOGMMKMAE-UHFFFAOYSA-N
XLogP4.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propan-2-ylphenyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propan-2-ylphenyl)acetamide (CID 91200442) is N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propan-2-ylphenyl)acetamide is C[C-](C)c1cccc(CC(=O)Nc2ccc3ncsc3c2)c1F.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propan-2-ylphenyl)acetamide?
The InChIKey is VHJXWBOGMMKMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN2OS/c1-11(2)14-5-3-4-12(18(14)19)8-17(22)21-13-6-7-15-16(9-13)23-10-20-15/h3-7,9-10H,8H2,1-2H3,(H,21,22)/q-1.
What are the key properties of N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propan-2-ylphenyl)acetamide?
N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propan-2-ylphenyl)acetamide has a molecular weight of 327.40 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 91200442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).