N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide

C17H12N4OS2 — CID 73168660

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)c2ccc3nsnc3c2)cs1
InChIInChI=1S/C17H12N4OS2/c1-10-18-16(9-23-10)12-4-2-3-5-13(12)19-17(22)11-6-7-14-15(8-11)21-24-20-14/h2-9H,1H3,(H,19,22)
InChIKeyATRPLPXTIMXBDH-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.38
Rot. Bonds3

About N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide

N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 73168660) has the molecular formula C17H12N4OS2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID73168660
Molecular FormulaC17H12N4OS2
Molecular Weight352.44 g/mol
Exact Mass352.05
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)c2ccc3nsnc3c2)cs1
InChIInChI=1S/C17H12N4OS2/c1-10-18-16(9-23-10)12-4-2-3-5-13(12)19-17(22)11-6-7-14-15(8-11)21-24-20-14/h2-9H,1H3,(H,19,22)
InChIKeyATRPLPXTIMXBDH-UHFFFAOYSA-N
XLogP4.38
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide (CID 73168660) is N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide is Cc1nc(-c2ccccc2NC(=O)c2ccc3nsnc3c2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is ATRPLPXTIMXBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS2/c1-10-18-16(9-23-10)12-4-2-3-5-13(12)19-17(22)11-6-7-14-15(8-11)21-24-20-14/h2-9H,1H3,(H,19,22).
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 73168660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).