N-methyl-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylacetamide

C19H20N4OS — CID 75463604

IUPACN-methyl-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylacetamide
SMILESCN(C(=O)Cn1cccn1)c1nc2c(s1)CC(c1ccccc1)CC2
InChIInChI=1S/C19H20N4OS/c1-22(18(24)13-23-11-5-10-20-23)19-21-16-9-8-15(12-17(16)25-19)14-6-3-2-4-7-14/h2-7,10-11,15H,8-9,12-13H2,1H3
InChIKeyUWEXHZDUPFFUPB-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.28
Rot. Bonds4

About N-methyl-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylacetamide

N-methyl-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylacetamide (PubChem CID 75463604) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-methyl-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylacetamide
PubChem CID75463604
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-methyl-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylacetamide
SMILESCN(C(=O)Cn1cccn1)c1nc2c(s1)CC(c1ccccc1)CC2
InChIInChI=1S/C19H20N4OS/c1-22(18(24)13-23-11-5-10-20-23)19-21-16-9-8-15(12-17(16)25-19)14-6-3-2-4-7-14/h2-7,10-11,15H,8-9,12-13H2,1H3
InChIKeyUWEXHZDUPFFUPB-UHFFFAOYSA-N
XLogP3.28
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylacetamide?
The IUPAC name of N-methyl-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylacetamide (CID 75463604) is N-methyl-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-methyl-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-methyl-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylacetamide is CN(C(=O)Cn1cccn1)c1nc2c(s1)CC(c1ccccc1)CC2.
What is the InChIKey of N-methyl-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylacetamide?
The InChIKey is UWEXHZDUPFFUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-22(18(24)13-23-11-5-10-20-23)19-21-16-9-8-15(12-17(16)25-19)14-6-3-2-4-7-14/h2-7,10-11,15H,8-9,12-13H2,1H3.
What are the key properties of N-methyl-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylacetamide?
N-methyl-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylacetamide has a molecular weight of 352.46 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 75463604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).