5-(1,3-benzothiazol-2-yl)-N-(2-butan-2-ylpyrazol-3-yl)pentanamide

C19H24N4OS — CID 134013424

IUPAC5-(1,3-benzothiazol-2-yl)-N-(2-butan-2-ylpyrazol-3-yl)pentanamide
SMILESCCC(C)n1nccc1NC(=O)CCCCc1nc2ccccc2s1
InChIInChI=1S/C19H24N4OS/c1-3-14(2)23-17(12-13-20-23)22-18(24)10-6-7-11-19-21-15-8-4-5-9-16(15)25-19/h4-5,8-9,12-14H,3,6-7,10-11H2,1-2H3,(H,22,24)
InChIKeyKZKOVECMMJDCAA-UHFFFAOYSA-N
MW356.50 g/mol
LogP4.82
Rot. Bonds8

About 5-(1,3-benzothiazol-2-yl)-N-(2-butan-2-ylpyrazol-3-yl)pentanamide

5-(1,3-benzothiazol-2-yl)-N-(2-butan-2-ylpyrazol-3-yl)pentanamide (PubChem CID 134013424) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-(2-butan-2-ylpyrazol-3-yl)pentanamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-(2-butan-2-ylpyrazol-3-yl)pentanamide
PubChem CID134013424
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-(2-butan-2-ylpyrazol-3-yl)pentanamide
SMILESCCC(C)n1nccc1NC(=O)CCCCc1nc2ccccc2s1
InChIInChI=1S/C19H24N4OS/c1-3-14(2)23-17(12-13-20-23)22-18(24)10-6-7-11-19-21-15-8-4-5-9-16(15)25-19/h4-5,8-9,12-14H,3,6-7,10-11H2,1-2H3,(H,22,24)
InChIKeyKZKOVECMMJDCAA-UHFFFAOYSA-N
XLogP4.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-(1,3-benzothiazol-2-yl)butanoate
CID 7896128
5-(1,3-benzothiazol-2-yl)-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pentanamide
CID 39952254
5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide
CID 78822892
5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide
CID 9039379
5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide
CID 18192870
5-(1,3-benzothiazol-2-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pentanamide
CID 9470642
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18156008
4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide
CID 26290774
2-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-2-methylbutanoic acid
CID 119199158
5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide
CID 24530018
5-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)ethyl]pentanamide
CID 119504813
5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide
CID 40710369

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(2-butan-2-ylpyrazol-3-yl)pentanamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(2-butan-2-ylpyrazol-3-yl)pentanamide (CID 134013424) is 5-(1,3-benzothiazol-2-yl)-N-(2-butan-2-ylpyrazol-3-yl)pentanamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-(2-butan-2-ylpyrazol-3-yl)pentanamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-(2-butan-2-ylpyrazol-3-yl)pentanamide is CCC(C)n1nccc1NC(=O)CCCCc1nc2ccccc2s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-(2-butan-2-ylpyrazol-3-yl)pentanamide?
The InChIKey is KZKOVECMMJDCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-3-14(2)23-17(12-13-20-23)22-18(24)10-6-7-11-19-21-15-8-4-5-9-16(15)25-19/h4-5,8-9,12-14H,3,6-7,10-11H2,1-2H3,(H,22,24).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-(2-butan-2-ylpyrazol-3-yl)pentanamide?
5-(1,3-benzothiazol-2-yl)-N-(2-butan-2-ylpyrazol-3-yl)pentanamide has a molecular weight of 356.50 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-(2-butan-2-ylpyrazol-3-yl)pentanamide is sourced from PubChem (CID 134013424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).