N-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide

C18H14N4OS — CID 16614963

IUPACN-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)Nc1nc2ccccc2s1
InChIInChI=1S/C18H14N4OS/c23-17(21-18-20-15-8-4-5-9-16(15)24-18)10-13-11-19-22(12-13)14-6-2-1-3-7-14/h1-9,11-12H,10H2,(H,20,21,23)
InChIKeyMEQAODSZOJXLTB-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.66
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 16614963) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID16614963
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)Nc1nc2ccccc2s1
InChIInChI=1S/C18H14N4OS/c23-17(21-18-20-15-8-4-5-9-16(15)24-18)10-13-11-19-22(12-13)14-6-2-1-3-7-14/h1-9,11-12H,10H2,(H,20,21,23)
InChIKeyMEQAODSZOJXLTB-UHFFFAOYSA-N
XLogP3.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614958
N-(1,3-benzothiazol-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 18151941
N-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 43064333
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 31867617
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
CID 91592084
N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6411115
N-(1,3-benzothiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18134779
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
N-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 24543290

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide (CID 16614963) is N-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide is O=C(Cc1cnn(-c2ccccc2)c1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is MEQAODSZOJXLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c23-17(21-18-20-15-8-4-5-9-16(15)24-18)10-13-11-19-22(12-13)14-6-2-1-3-7-14/h1-9,11-12H,10H2,(H,20,21,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 334.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 16614963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).