N-(1,3-benzothiazol-2-yl)-4-butoxy-N-(2-pyrazol-1-ylethyl)benzamide

C23H24N4O2S — CID 30460212

IUPACN-(1,3-benzothiazol-2-yl)-4-butoxy-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCCCCOc1ccc(C(=O)N(CCn2cccn2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C23H24N4O2S/c1-2-3-17-29-19-11-9-18(10-12-19)22(28)27(16-15-26-14-6-13-24-26)23-25-20-7-4-5-8-21(20)30-23/h4-14H,2-3,15-17H2,1H3
InChIKeySJPKRZXIOFIKSN-UHFFFAOYSA-N
MW420.54 g/mol
LogP5.02
Rot. Bonds9

About N-(1,3-benzothiazol-2-yl)-4-butoxy-N-(2-pyrazol-1-ylethyl)benzamide

N-(1,3-benzothiazol-2-yl)-4-butoxy-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 30460212) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-butoxy-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-butoxy-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID30460212
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-butoxy-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCCCCOc1ccc(C(=O)N(CCn2cccn2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C23H24N4O2S/c1-2-3-17-29-19-11-9-18(10-12-19)22(28)27(16-15-26-14-6-13-24-26)23-25-20-7-4-5-8-21(20)30-23/h4-14H,2-3,15-17H2,1H3
InChIKeySJPKRZXIOFIKSN-UHFFFAOYSA-N
XLogP5.02
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.54
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 30462535
N-(4-chloro-1,3-benzothiazol-2-yl)-4-pentoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 30460774
N-(1,3-benzothiazol-2-yl)-4-ethylsulfonyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 30868363
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide;hydrochloride
CID 44929513
N-(1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 30460139
N-(1,3-benzothiazol-2-yl)-2-ethyl-N-(2-pyrazol-1-ylethyl)pyrazole-3-carboxamide
CID 30460154
N-(1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(2-pyrazol-1-ylethyl)acetamide
CID 30460175
methyl 4-[(6-fluoro-1,3-benzothiazol-2-yl)-(2-pyrazol-1-ylethyl)carbamoyl]benzoate
CID 30461635
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-phenoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 30462246
N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-2-thiophen-2-ylacetamide
CID 30868332
4-butoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41055872
N-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 30460361

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-butoxy-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-butoxy-N-(2-pyrazol-1-ylethyl)benzamide (CID 30460212) is N-(1,3-benzothiazol-2-yl)-4-butoxy-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-butoxy-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-butoxy-N-(2-pyrazol-1-ylethyl)benzamide is CCCCOc1ccc(C(=O)N(CCn2cccn2)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-butoxy-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is SJPKRZXIOFIKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-2-3-17-29-19-11-9-18(10-12-19)22(28)27(16-15-26-14-6-13-24-26)23-25-20-7-4-5-8-21(20)30-23/h4-14H,2-3,15-17H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-butoxy-N-(2-pyrazol-1-ylethyl)benzamide?
N-(1,3-benzothiazol-2-yl)-4-butoxy-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 420.54 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-butoxy-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 30460212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).