2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide

C19H13Cl2FN4OS — CID 30868549

IUPAC2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide
SMILESO=C(c1cc(Cl)ccc1Cl)N(CCn1cccn1)c1nc2c(F)cccc2s1
InChIInChI=1S/C19H13Cl2FN4OS/c20-12-5-6-14(21)13(11-12)18(27)26(10-9-25-8-2-7-23-25)19-24-17-15(22)3-1-4-16(17)28-19/h1-8,11H,9-10H2
InChIKeyWWDYVNAZMTUOAB-UHFFFAOYSA-N
MW435.31 g/mol
LogP5.29
Rot. Bonds5

About 2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide

2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 30868549) has the molecular formula C19H13Cl2FN4OS and a molecular weight of 435.31 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID30868549
Molecular FormulaC19H13Cl2FN4OS
Molecular Weight435.31 g/mol
Exact Mass434.02
IUPAC Name2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide
SMILESO=C(c1cc(Cl)ccc1Cl)N(CCn1cccn1)c1nc2c(F)cccc2s1
InChIInChI=1S/C19H13Cl2FN4OS/c20-12-5-6-14(21)13(11-12)18(27)26(10-9-25-8-2-7-23-25)19-24-17-15(22)3-1-4-16(17)28-19/h1-8,11H,9-10H2
InChIKeyWWDYVNAZMTUOAB-UHFFFAOYSA-N
XLogP5.29
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.31
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide (CID 30868549) is 2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide is O=C(c1cc(Cl)ccc1Cl)N(CCn1cccn1)c1nc2c(F)cccc2s1.
What is the InChIKey of 2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is WWDYVNAZMTUOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FN4OS/c20-12-5-6-14(21)13(11-12)18(27)26(10-9-25-8-2-7-23-25)19-24-17-15(22)3-1-4-16(17)28-19/h1-8,11H,9-10H2.
What are the key properties of 2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide?
2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 435.31 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 30868549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).