N-(1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)acetamide

C20H17FN4OS — CID 30868317

IUPACN-(1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)N(CCn1cccn1)c1nc2ccccc2s1
InChIInChI=1S/C20H17FN4OS/c21-16-8-6-15(7-9-16)14-19(26)25(13-12-24-11-3-10-22-24)20-23-17-4-1-2-5-18(17)27-20/h1-11H,12-14H2
InChIKeyQTHFJPQDQSGZHU-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.91
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)acetamide (PubChem CID 30868317) has the molecular formula C20H17FN4OS and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)acetamide
PubChem CID30868317
Molecular FormulaC20H17FN4OS
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)N(CCn1cccn1)c1nc2ccccc2s1
InChIInChI=1S/C20H17FN4OS/c21-16-8-6-15(7-9-16)14-19(26)25(13-12-24-11-3-10-22-24)20-23-17-4-1-2-5-18(17)27-20/h1-11H,12-14H2
InChIKeyQTHFJPQDQSGZHU-UHFFFAOYSA-N
XLogP3.91
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)acetamide (CID 30868317) is N-(1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)acetamide is O=C(Cc1ccc(F)cc1)N(CCn1cccn1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)acetamide?
The InChIKey is QTHFJPQDQSGZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS/c21-16-8-6-15(7-9-16)14-19(26)25(13-12-24-11-3-10-22-24)20-23-17-4-1-2-5-18(17)27-20/h1-11H,12-14H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)acetamide has a molecular weight of 380.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 30868317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).