2-(4-aminopyrazol-1-yl)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide

C11H8Cl2N6OS — CID 65474419

IUPAC2-(4-aminopyrazol-1-yl)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESNc1cnn(CC(=O)Nc2c(Cl)cc(Cl)c3nsnc23)c1
InChIInChI=1S/C11H8Cl2N6OS/c12-6-1-7(13)10-11(18-21-17-10)9(6)16-8(20)4-19-3-5(14)2-15-19/h1-3H,4,14H2,(H,16,20)
InChIKeyFBPXTJFASACYPV-UHFFFAOYSA-N
MW343.20 g/mol
LogP2.42
Rot. Bonds3

About 2-(4-aminopyrazol-1-yl)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide

2-(4-aminopyrazol-1-yl)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide (PubChem CID 65474419) has the molecular formula C11H8Cl2N6OS and a molecular weight of 343.20 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide
PubChem CID65474419
Molecular FormulaC11H8Cl2N6OS
Molecular Weight343.20 g/mol
Exact Mass341.99
IUPAC Name2-(4-aminopyrazol-1-yl)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESNc1cnn(CC(=O)Nc2c(Cl)cc(Cl)c3nsnc23)c1
InChIInChI=1S/C11H8Cl2N6OS/c12-6-1-7(13)10-11(18-21-17-10)9(6)16-8(20)4-19-3-5(14)2-15-19/h1-3H,4,14H2,(H,16,20)
InChIKeyFBPXTJFASACYPV-UHFFFAOYSA-N
XLogP2.42
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65474758
2-(4-aminopyrazol-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 43382443
2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 60866735
2-(4-aminopyrazol-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 43445291
2-(4-aminopyrazol-1-yl)-N-(3-chloro-5-fluorophenyl)acetamide
CID 107363404
N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)propanamide
CID 60853817
4-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]piperidine-1-carboxamide
CID 43790039
2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide
CID 81262636
2-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 43445480
N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-(propan-2-ylamino)butanamide
CID 60851320
N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopropanecarboxamide
CID 64593204
2-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpentanamide
CID 60847013

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide (CID 65474419) is 2-(4-aminopyrazol-1-yl)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide is Nc1cnn(CC(=O)Nc2c(Cl)cc(Cl)c3nsnc23)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide?
The InChIKey is FBPXTJFASACYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N6OS/c12-6-1-7(13)10-11(18-21-17-10)9(6)16-8(20)4-19-3-5(14)2-15-19/h1-3H,4,14H2,(H,16,20).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide?
2-(4-aminopyrazol-1-yl)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide has a molecular weight of 343.20 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide is sourced from PubChem (CID 65474419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).