2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide

C13H12ClN5OS — CID 115289869

IUPAC2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)Nc2c(Cl)ccc3scnc23)cn1
InChIInChI=1S/C13H12ClN5OS/c1-19-5-7(4-17-19)10(15)13(20)18-11-8(14)2-3-9-12(11)16-6-21-9/h2-6,10H,15H2,1H3,(H,18,20)
InChIKeyWVURDTFJNKYAPK-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.32
Rot. Bonds3

About 2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115289869) has the molecular formula C13H12ClN5OS and a molecular weight of 321.79 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115289869
Molecular FormulaC13H12ClN5OS
Molecular Weight321.79 g/mol
Exact Mass321.05
IUPAC Name2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)Nc2c(Cl)ccc3scnc23)cn1
InChIInChI=1S/C13H12ClN5OS/c1-19-5-7(4-17-19)10(15)13(20)18-11-8(14)2-3-9-12(11)16-6-21-9/h2-6,10H,15H2,1H3,(H,18,20)
InChIKeyWVURDTFJNKYAPK-UHFFFAOYSA-N
XLogP2.32
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(4-chloro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 83166938
2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-4-methylsulfonylbutanamide
CID 43699874
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290403
2-amino-N-(3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289627
2-amino-2-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 115289678
2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289593
2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290771
2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289709
2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 107574153
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 83167255
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291042
2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289637

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide (CID 115289869) is 2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc(C(N)C(=O)Nc2c(Cl)ccc3scnc23)cn1.
What is the InChIKey of 2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is WVURDTFJNKYAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5OS/c1-19-5-7(4-17-19)10(15)13(20)18-11-8(14)2-3-9-12(11)16-6-21-9/h2-6,10H,15H2,1H3,(H,18,20).
What are the key properties of 2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 321.79 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115289869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).