N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide

C19H16N4OS — CID 16614958

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCc1ccc2nc(NC(=O)Cc3cnn(-c4ccccc4)c3)sc2c1
InChIInChI=1S/C19H16N4OS/c1-13-7-8-16-17(9-13)25-19(21-16)22-18(24)10-14-11-20-23(12-14)15-5-3-2-4-6-15/h2-9,11-12H,10H2,1H3,(H,21,22,24)
InChIKeyDBBSSVHRGPJVGP-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.97
Rot. Bonds4

About N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide

N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 16614958) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID16614958
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCc1ccc2nc(NC(=O)Cc3cnn(-c4ccccc4)c3)sc2c1
InChIInChI=1S/C19H16N4OS/c1-13-7-8-16-17(9-13)25-19(21-16)22-18(24)10-14-11-20-23(12-14)15-5-3-2-4-6-15/h2-9,11-12H,10H2,1H3,(H,21,22,24)
InChIKeyDBBSSVHRGPJVGP-UHFFFAOYSA-N
XLogP3.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614963
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 16545610
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 16807866
N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide
CID 9457701
1-benzyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 42733059
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936631
2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41133345
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502
2-(4-bromo-5-methylpyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 19517786
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide (CID 16614958) is N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide is Cc1ccc2nc(NC(=O)Cc3cnn(-c4ccccc4)c3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is DBBSSVHRGPJVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-13-7-8-16-17(9-13)25-19(21-16)22-18(24)10-14-11-20-23(12-14)15-5-3-2-4-6-15/h2-9,11-12H,10H2,1H3,(H,21,22,24).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 348.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 16614958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).