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

C19H16N4OS — CID 18151941

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)NCc1nc2ccccc2s1
InChIInChI=1S/C19H16N4OS/c24-18(20-12-19-22-16-8-4-5-9-17(16)25-19)10-14-11-21-23(13-14)15-6-2-1-3-7-15/h1-9,11,13H,10,12H2,(H,20,24)
InChIKeyYYZPPMLFGIOUAM-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.34
Rot. Bonds5

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

N-(1,3-benzothiazol-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 18151941) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID18151941
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)NCc1nc2ccccc2s1
InChIInChI=1S/C19H16N4OS/c24-18(20-12-19-22-16-8-4-5-9-17(16)25-19)10-14-11-21-23(13-14)15-6-2-1-3-7-15/h1-9,11,13H,10,12H2,(H,20,24)
InChIKeyYYZPPMLFGIOUAM-UHFFFAOYSA-N
XLogP3.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 24543290
N-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614963
N-(1,3-benzothiazol-2-ylmethyl)-1-(4-bromophenyl)pyrazole-4-carboxamide
CID 55773919
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 18110654
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide
CID 17325456
N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide
CID 2557871
N-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 134035531
4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide
CID 61248575
N-(1,3-benzothiazol-2-ylmethyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 31846506
methyl 4-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzoate
CID 18152301
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614958

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)acetamide (CID 18151941) is N-(1,3-benzothiazol-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)acetamide is O=C(Cc1cnn(-c2ccccc2)c1)NCc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is YYZPPMLFGIOUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-18(20-12-19-22-16-8-4-5-9-17(16)25-19)10-14-11-21-23(13-14)15-6-2-1-3-7-15/h1-9,11,13H,10,12H2,(H,20,24).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)acetamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 348.43 g/mol, XLogP of 3.34, 5 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-ylmethyl)-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 18151941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).