N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide

C18H13FN4OS — CID 27378370

IUPACN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccccc2F)n(-c2nc3ccccc3s2)n1
InChIInChI=1S/C18H13FN4OS/c1-11-10-16(21-17(24)12-6-2-3-7-13(12)19)23(22-11)18-20-14-8-4-5-9-15(14)25-18/h2-10H,1H3,(H,21,24)
InChIKeyOMSSRWHMWGQLKV-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.18
Rot. Bonds3

About N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide

N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide (PubChem CID 27378370) has the molecular formula C18H13FN4OS and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
PubChem CID27378370
Molecular FormulaC18H13FN4OS
Molecular Weight352.39 g/mol
Exact Mass352.08
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccccc2F)n(-c2nc3ccccc3s2)n1
InChIInChI=1S/C18H13FN4OS/c1-11-10-16(21-17(24)12-6-2-3-7-13(12)19)23(22-11)18-20-14-8-4-5-9-15(14)25-18/h2-10H,1H3,(H,21,24)
InChIKeyOMSSRWHMWGQLKV-UHFFFAOYSA-N
XLogP4.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide (CID 27378370) is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide is Cc1cc(NC(=O)c2ccccc2F)n(-c2nc3ccccc3s2)n1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide?
The InChIKey is OMSSRWHMWGQLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS/c1-11-10-16(21-17(24)12-6-2-3-7-13(12)19)23(22-11)18-20-14-8-4-5-9-15(14)25-18/h2-10H,1H3,(H,21,24).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide?
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide has a molecular weight of 352.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 27378370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).