N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)pentanamide

C17H19FN4OS — CID 30868560

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)pentanamide
SMILESCCCCC(=O)N(CCn1cccn1)c1nc2c(F)cccc2s1
InChIInChI=1S/C17H19FN4OS/c1-2-3-8-15(23)22(12-11-21-10-5-9-19-21)17-20-16-13(18)6-4-7-14(16)24-17/h4-7,9-10H,2-3,8,11-12H2,1H3
InChIKeyUTGZDFTVAZGEFW-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.86
Rot. Bonds7

About N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)pentanamide

N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)pentanamide (PubChem CID 30868560) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)pentanamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)pentanamide
PubChem CID30868560
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)pentanamide
SMILESCCCCC(=O)N(CCn1cccn1)c1nc2c(F)cccc2s1
InChIInChI=1S/C17H19FN4OS/c1-2-3-8-15(23)22(12-11-21-10-5-9-19-21)17-20-16-13(18)6-4-7-14(16)24-17/h4-7,9-10H,2-3,8,11-12H2,1H3
InChIKeyUTGZDFTVAZGEFW-UHFFFAOYSA-N
XLogP3.86
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)pentanamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)pentanamide (CID 30868560) is N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)pentanamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)pentanamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)pentanamide is CCCCC(=O)N(CCn1cccn1)c1nc2c(F)cccc2s1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)pentanamide?
The InChIKey is UTGZDFTVAZGEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4OS/c1-2-3-8-15(23)22(12-11-21-10-5-9-19-21)17-20-16-13(18)6-4-7-14(16)24-17/h4-7,9-10H,2-3,8,11-12H2,1H3.
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)pentanamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)pentanamide has a molecular weight of 346.43 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)pentanamide is sourced from PubChem (CID 30868560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).