4-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-5-methylthiophene-2-carboxamide

C12H8Cl2N4OS2 — CID 65474030

IUPAC4-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2c(Cl)cc(Cl)c3nsnc23)cc1N
InChIInChI=1S/C12H8Cl2N4OS2/c1-4-7(15)3-8(20-4)12(19)16-9-5(13)2-6(14)10-11(9)18-21-17-10/h2-3H,15H2,1H3,(H,16,19)
InChIKeyQWOLOOIKWNKXQK-UHFFFAOYSA-N
MW359.26 g/mol
LogP4.20
Rot. Bonds2

About 4-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-5-methylthiophene-2-carboxamide

4-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-5-methylthiophene-2-carboxamide (PubChem CID 65474030) has the molecular formula C12H8Cl2N4OS2 and a molecular weight of 359.26 g/mol. Its IUPAC name is 4-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-5-methylthiophene-2-carboxamide
PubChem CID65474030
Molecular FormulaC12H8Cl2N4OS2
Molecular Weight359.26 g/mol
Exact Mass357.95
IUPAC Name4-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2c(Cl)cc(Cl)c3nsnc23)cc1N
InChIInChI=1S/C12H8Cl2N4OS2/c1-4-7(15)3-8(20-4)12(19)16-9-5(13)2-6(14)10-11(9)18-21-17-10/h2-3H,15H2,1H3,(H,16,19)
InChIKeyQWOLOOIKWNKXQK-UHFFFAOYSA-N
XLogP4.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-5-methylthiophene-2-carboxamide with MolForge

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Related Compounds

4-amino-5-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 61089790
4-amino-N-(3-chloro-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61091195
4-bromo-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzamide
CID 60955307
3-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65474758
2-chloro-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyridine-4-carboxamide
CID 61053149
N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopropanecarboxamide
CID 64593204
4-amino-N-(4-chloro-2-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61093919
2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 60866735
2-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylpentanamide
CID 60847013
4-amino-N-(2,5-dimethylpyrazol-3-yl)-5-methylthiophene-2-carboxamide
CID 61090609
1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide
CID 60852266
5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine
CID 63090384

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-5-methylthiophene-2-carboxamide (CID 65474030) is 4-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)Nc2c(Cl)cc(Cl)c3nsnc23)cc1N.
What is the InChIKey of 4-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is QWOLOOIKWNKXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4OS2/c1-4-7(15)3-8(20-4)12(19)16-9-5(13)2-6(14)10-11(9)18-21-17-10/h2-3H,15H2,1H3,(H,16,19).
What are the key properties of 4-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-5-methylthiophene-2-carboxamide?
4-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 359.26 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 65474030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).